Datasets:
Lollitor
/
ScreeningData

Dataset card Data Studio Files
xet
 Community
#code_ligand_num
stringlengths
13
15
input
stringlengths
562
868
1u1b_ligand_12
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_126
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_128
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_129
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_13
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_132
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_134
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_136
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_14
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_141
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_143
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_144
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_145
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_147
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_156
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_157
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_168
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_169
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_17
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_175
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_179
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_180
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_181
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_182
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_183
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_185
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_190
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_191
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_192
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_194
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_198
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_2
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_203
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_206
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_207
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_208
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_21
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_212
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_218
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_219
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_223
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_227
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_228
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_229
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_234
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_237
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_238
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_241
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_242
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_244
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_250
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_252
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_258
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_265
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_272
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_295
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_296
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_30
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_302
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_303
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_306
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_317
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_324
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_333
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_334
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_340
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_343
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_344
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_356
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_39
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_430
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_45
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_48
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_5
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_52
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_53
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_56
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_60
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_62
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_64
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_65
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_66
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_67
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_78
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_8
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_80
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_81
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_85
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_88
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_89
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_90
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_91
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_95
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1u1b_ligand_99
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> C c 1 c n ( [ C @ H ] 2 C [ C @ H ] ( O [ P @ @ ] ( = O ) ( [ O - ] ) O [ P @ @ ] ( = O ) ( [ O - ] ) O C [ C @ H ] 3 O [ C @ @ H ] ( n 4 c n c 5 c ( N ) n c n c 5 4 ) [ C @ H ] ( O ) [ C @ @ H ] 3 O [ P + ] ( = O ) ( = O ) [ O - ] ) [ C @ @ H ] ( C O [ P + ] ( = O ) ( = O ) [ O - ] ) O 2 ) c ( = O ) [ n H ] c 1 = O
1uto_ligand_10
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> [ N H 3 + ] C C c 1 c c c c c 1
1uto_ligand_113
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> [ N H 3 + ] C C c 1 c c c c c 1
1uto_ligand_119
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> [ N H 3 + ] C C c 1 c c c c c 1
1uto_ligand_154
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> [ N H 3 + ] C C c 1 c c c c c 1
1uto_ligand_160
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> [ N H 3 + ] C C c 1 c c c c c 1
1uto_ligand_161
V P F V E D W D L V Q T L G E G A Y G E V Q L A V N R V T E E A V A V K I V D M K N I K K E I C I N K M L N H E N V V K F Y G H R R E G N I Q Y L F L E Y C S G G E L F D R I E P D I G M P E P D A Q R F F H Q L M A G V V Y L H G I G I T H R D I K P E N L L L D E R D N L K I S D F G L A T V F R Y N N R E R L L N K M C G T L P Y V A P E L L K R R E F H A E P V D V W S C G I V L T A M L A G E L P W D Q P S D S C Q E Y S D W K E K K T Y L N P W K K I D S A P L A L L H K I L V E N P S A R I T I P D I K K D R W Y N K P L K K G A </s> [ N H 3 + ] C C c 1 c c c c c 1