__key__
stringlengths 8
9
| __url__
stringclasses 32
values | lig_xyz.pyd
unknown | name.txt
stringlengths 4
4
| rec_r.pyd
unknown | rec_feat.pyd
unknown | rec_xyz.pyd
unknown | seq.txt
stringlengths 24
4.72k
| smiles.txt
stringlengths 4
317
|
|---|---|---|---|---|---|---|---|---|
9_000381 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jik | null | null | null | TNVLIEDLKWRGLIYQQTDEQGIEDLLNKEQVTLYCGADPTADSLHIGHLLPFLTLRRFQEHGHRPIVLIGGGTGMIGDPSGKSEERVLQTEEQVDKNIEGISKQMHNIFEFGTDHGAVLVNNRDWLGQISLISFLRDYGKHVGVNYMLGKDSIQSRLEHGISYTEFTYTILQAIDFGHLNRELNCKIQVGGSDQWGNITSGIELMRRMYGQTDAYGLTIPLVTKSDGKKFGKSESGAVWLDAEKTSPYEFYQFWINQSDEDVIKFLKYFTFLGKEEIDRLEQSKNEAPHLREAQKTLAEEVTKFIHGEDALNDAIRISTNVLIEDLKWRGLIYQQTDEQGIEDLLNKEQVTLYCGADPTADSLHIGHLLPFLTLRRFQEHGHRPIVLIGGGTGMIGDPSGKSEERVLQTEEQVDKNIEGISKQMHNIFEFGTDHGAVLVNNRDWLGQISLISFLRDYGKHVGVNYMLGKDSIQSRLEHGISYTEFTYTILQAIDFGHLNRELNCKIQVGGSDQWGNITSGIELMRRMYGQTDAYGLTIPLVTKSDGKKFGKSESGAVWLDAEKTSPYEFYQFWINQSDEDVIKFLKYFTFLGKEEIDRLEQSKNEAPHLREAQKTLAEEVTKFIHGEDALNDAIRIS | CCCCOC(=O)C(NC(=O)C([NH3+])Cc1ccc(O)cc1)C1C(O)C(O)(CO)C(O)C[NH+]1O |
9_000382 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jil | null | null | null | TNVLIEDLKWRGLIYQQTDEQGIEDLLNKEQVTLYCGADPTADSLHIGHLLPFLTLRRFQEHGHRPIVLIGGGTGMIGDPSGKSEERVLQTEEQVDKNIEGISKQMHNIFEFGTDHGAVLVNNRDWLGQISLISFLRDYGKHVGVNYMLGKDSIQSRLEHGISYTEFTYTILQAIDFGHLNRELNCKIQVGGSDQWGNITSGIELMRRMYGQTDAYGLTIPLVTKSDGKKFGKSESGAVWLDAEKTSPYEFYQFWINQSDEDVIKFLKYFTFLGKEEIDRLEQSKNEAPHLREAQKTLAEEVTKFIHGEDALNDAIRISQALFTNVLIEDLKWRGLIYQQTDEQGIEDLLNKEQVTLYCGADPTADSLHIGHLLPFLTLRRFQEHGHRPIVLIGGGTGMIGDPSGKSEERVLQTEEQVDKNIEGISKQMHNIFEFGTDHGAVLVNNRDWLGQISLISFLRDYGKHVGVNYMLGKDSIQSRLEHGISYTEFTYTILQAIDFGHLNRELNCKIQVGGSDQWGNITSGIELMRRMYGQTDAYGLTIPLVTKSDGKKFGKSESGAVWLDAEKTSPYEFYQFWINQSDEDVIKFLKYFTFLGKEEIDRLEQSKNEAPHLREAQKTLAEEVTKFIHGEDALNDAIRISQALF | CC1OC(C(NC(=O)C([NH3+])Cc2ccc(O)cc2)C(=O)O)C(O)C(O)C1O |
9_000383 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jiz | null | null | null | GFREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYGD | COc1ccc(S(=O)(=O)N(Cc2cccnc2)C(C(=O)N=O)C(C)C)cc1 |
9_000384 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jj9 | null | null | null | NPKWERTNLTYRIRNYTPQLSEAEVERAIKDAFELWSVASPLIFTRISQGEADINIAFYQRDHGDNSPFDGPNGILAHAFQPGQGIGGDAHFDAEETWTNTSANYNLFLVAAHEFGHSLGLAHSSDPGALMYPNYAFRETSNYSLPQDDIDGIQAIYG | O=C1NC(=O)C(c2ccccc2)([NH+]2CCC(CCO)CC2)C(=O)N1 |
9_000385 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jje | null | null | null | SLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESKK | O=C(O)C(Cc1ccccc1)C(Cc1ccc2c(c1)OCO2)C(=O)O |
9_000386 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jjk | null | null | null | VTNSPVVVALDYHNRDDALAFVDKIDPRDCRLKVGKEMFTLFGPQFVRELQQRGFDIFLDLKFHDIPNTAAHAVAAAADLGVWMVNVHASGGARMMTAAREALVPFGKDAPLLIAVTVLTSMEASDLVDLGMTLSPADYAERLAALTQKCGLDGVVCSAQEAVRFKQVFGQEFKLVTPGIRPQGSEAGDQRRIMTPEQALSAGVDYMVIGRPVTQSVDPAQTLKAINASLQVTNSPVVVALDYHNRDDALAFVDKIDPRDCRLKVGKEMFTLFGPQFVRELQQRGFDIFLDLKFHDIPNTAAHAVAAAADLGVWMVNVHASGGARMMTAAREALVPFGKDAPLLIAVTVLTSMEASDLVDLGMTLSPADYAERLAALTQKCGLDGVVCSAQEAVRFKQVFGQEFKLVTPGIRPQGSEAGDQRRIMTPEQALSAGVDYMVIGRPVTQSVDPAQTLKAINASLQ | O=c1cc(O)n(C2OC(COP(=O)(O)O)C(O)C2O)c(O)n1 |
9_000387 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jjt | null | null | null | SLPDLKIEKLDEGVYVHTSFEEVNGWGVVPKHGLVVLVNAEAYLIDTPFTAKDTEKLVTWFVERGYKIKGSISSHFHSDSTGGIEWLNSRSIPTYASELTNELLKKDGKVQATNSFSGVNYWLVKNKIEVFYPGPGHTPDNVVVWLPERKILFGGCFIKPYGLGNLGDANIEAWPKSAKLLKSKYGKAKLVVPSHSEVGDASLLKLTLEQAVKGLNESKK | O=C(O)C(Cc1ccc2c(c1)OCO2)C(Cc1ccc2c(c1)OCO2)C(=O)O |
9_000388 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jk7 | null | null | null | KLNIDSIIQRLLEVRGSKPGKNVQLQENEIRGLCLKSREIFLSQPILLELEAPLKICGDIHGQYYDLLRLFEYGGFPPESNYLFLGDYVDRGKQSLETICLLLAYKIKYPENFFLLRGNHECASINRIYGFYDECKRRYNIKLWKTFTDCFNCLPIAAIVDEKIFCCHGGLSPDLQSMEQIRRIMRPTDVPDQGLLCDLLWSDPDKDVLGWGENDRGVSFTFGAEVVAKFLHKHDLDLICRAHQVVEDGYEFFAKRQLVTLFSAPNYCGEFDNAGAMMSVDETLMCSFQILKPA | C=C1C(O)C2OC3(CCC(/C=C/C(C)C4CC(C)=CC5(OC(CC(C)(O)C(=O)O)CCC5O)O4)O3)CCC2OC1C(O)CC(C)C1OC2(CCCCO2)CCC1C |
9_000389 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jld | null | null | null | PQFSLWKRPVVTAYIEGQPVEVLLDTGADDSIVAGIELGNNYSPKIVGGIGGFINTKEYKNVEIEVLNKKVRATIMTGDTPINIFGRNILTALGMSLNLPQFSLWKRPVVTAYIEGQPVEVLLDTGADDSIVAGIELGNNYSPKIVGGIGGFINTKEYKNVEIEVLNKKVRATIMTGDTPINIFGRNILTALGMSLNL | CCC(CC)NC(=O)CC(C(=O)NCC(O)C(Cc1ccccc1)NC(=O)C(NC(=O)c1ccc2ccccc2n1)C(C)O)C(C)(C)C |
9_000390 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jlq | null | null | null | PISPIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDLVDFRELNKRTQDFWEVQLGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPDKKHQKEPPFLWMGYELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQLEKEPIVGAETFYVDGAANRETKLGKAGYVTNRGRQKVVTLTDTTNQKTELQAIYLALQDSGLEVNIVTDSQYALGIIQAQPDQSESELVNQIIEQLIKKEKVYLAWVPAHKIETVPVKLKPGMDGPKVKQWPLTEEKIKALVEICTEMEKEGKISKIGPENPYNTPVFAIKKKDSTKWRKLVDFRELNKRTQDFGIPHPAGLKKKKSVTVLDVGDAYFSVPLDEDFRKYTAFTIPSINNETPGIRYQYNVLPQGWKGSPAIFQSSMTKILEPFRKQNPDIVIYQYMDDLYVGSDLEIGQHRTKIEELRQHLLRWGLTTPELHPDKWTVQPIVLPEKDSWTVNDIQKLVGKLNWASQIYPGIKVRQLCKLLRGTKALTEVIPLTEEAELELAENREILKEPVHGVYYDPSKDLIAEIQKQGQGQWTYQIYQEPFKNLKTGKYARMRGAHTNDVKQLTEAVQKITTESIVIWGKTPKFKLPIQKETWETWWTEYWQATWIPEWEFVNTPPLVKLWYQL | Cc1cc(C)cc(S(=O)(=O)c2cccc(N)c2C#N)c1 |
9_000391 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jlx | null | null | null | AGLPVIMCLKSNNHQKYLRYQSDNIQQYGLLQFSADKILDPLAQFEVEPSKTYDGLVHIKSRYTNKYLVRWSPNHYWITASANEPDENKSNWACTLFKPLYVEEGNMKKVRLLHVQLGHYTQNYTVGGSFVSYLFAESSQIDTGSKDVFHVIDWKSIFQFPKGYVTFKGNNGKYLGVITINQLPCLQFGYDNLNDPKVAHQMFVTSNGTICIKSNYMNKFWRLSTDDWILVDGNDPRETNEAAALFRSDVHDFNVISLLNMQKTWFIKRFTSGKPGFINCMNAATQNVDETAILEIIELAGLPVIMCLKSNNHQKYLRYQSDNIQQYGLLQFSADKILDPLAQFEVEPSKTYDGLVHIKSRYTNKYLVRWSPNHYWITASANEPDENKSNWACTLFKPLYVEEGNMKKVRLLHVQLGHYTQNYTVGGSFVSYLFAESSQIDTGSKDVFHVIDWKSIFQFPKGYVTFKGNNGKYLGVITINQLPCLQFGYDNLNDPKVAHQMFVTSNGTICIKSNYMNKFWRLSTDDWILVDGNDPRETNEAAALFRSDVHDFNVISLLNMQKTWFIKRFTSGKPGFINCMNAATQNVDETAILEIIEL | CC(=O)NC1C(OCc2ccccc2)OC(CO)C(O)C1OC1OC(CO)C(O)C(O)C1O |
9_000392 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jm4 | null | null | null | GSHMSKEPRDPDQLYSTLKSILQQVKSHQSAWPFMEPVKRTEAPGYYEVIRFPMDLKTMSERLKNRYYVSKKLFMADLQRVFTNCKEYNPPESEYYKCANILEKFFFSKIKEAGLIDK | CC(=O)NCCCCC(NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(Cc1ccc(O)cc1)NC(=O)C([NH3+])CO)C(=O)NC(CCCC[NH3+])C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(N)=O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CS)C(=O)O |
9_000393 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jmi | null | null | null | MLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFSIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAVMLEQPYLDLAKKVLDEGHFKPDRTHTGTYSIFGHQMRFDLSKGFPLLTTKKVPFGLIKSELLWFLHGDTNIRFLLQHRNHIWDEWAFEKWVKSDEYHGPDMTDFGHRSQKDPEFAAVYHEEMAKFDDRVLHDDAFAAKYGDLGLVYGSQWRAWHTSKGDTIDQLGDVIEQIKTHPYSRRLIVSAWNPEDVPTMALPPCHTLYQFYVNDGKLSLQLYQRSADIFLGVPFSIASYALLTHLVAHECGLEVGEFIHTFGDAHLYVNHLDQIKEQLSRTPRPAPTLQLNPDKHDIFDFDMKDIKLLNYDPYPAIKAPVAV | O=c1ccn(C2CC(O)C(COP(=O)(O)O)O2)c(=O)[nH]1 |
9_000394 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jmq | null | null | null | FEIPDDVPLPAGWEMAKTSSGQRYFKNHIDQTTTWQDPRKAMLSQM | CC(C)C(NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C1CCCN1C(=O)C(NC(=O)C[NH3+])C(C)O)C(C)O)C(=O)NCC(=O)O |
9_000395 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1joc | null | null | null | QDERRALLERCLKGEGEIEKLQTKVLELQRKLDNTTAAVQELGRENQSLQIKHTQALNRKWAEDNEVQNCMACGKGFSVTVRRHHCRQCGNIFCAECSAKNALTPSSKKPVRVCDACFNDLQGQDERRALLERCLKGEGEIEKLQTKVLELQRKLDNTTAAVQELGRENQSLQIKHTQALNRKWAEDNEVQNCMACGKGFSVTVRRHHCRQCGNIFCAECSAKNALTPSSKKPVRVCDACFNDLQG | O=P(O)(O)OC1C(O)C(O)C(O)C(OP(=O)(O)O)C1O |
9_000396 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jq3 | null | null | null | RTLKELERELQPRQHLWYFEYYTGNNVGLFMKMNRVIYSGQSDIQRIDIFENPDLGVVFALDGITMTTEKDEFMYHEMLAHVPMFLHPNPKKVLIIGGGDGGTLREVLKHDSVEKAILCEVDGLVIEAARKYLKQTSCGFDDPRAEIVIANGAEYVRKFKNEFDVIIIDSTDPTAGQGGHLFTEEFYQACYDALKEDGVFSAETEDPFYDIGWFKLAYRRISKVFPITRVYLGFMTTYPSGMWSYTFASKGIDPIKDFDPEKVRKFNKELKYYNEEVHVASFALPNFVKKELGLMRTLKELERELQPRQHLWYFEYYTGNNVGLFMKMNRVIYSGQSDIQRIDIFENPDLGVVFALDGITMTTEKDEFMYHEMLAHVPMFLHPNPKKVLIIGGGDGGTLREVLKHDSVEKAILCEVDGLVIEAARKYLKQTSCGFDDPRAEIVIANGAEYVRKFKNEFDVIIIDSHLFTEEFYQACYDALKEDGVFSAETEDPFYDIGWFKLAYRRISKVFPITRVYLGFMTTYPSGMWSYTFASKGIDPIKDFDPEKVRKFNKELKYYNEEVHVASFALPNFVKKELGLMLKELERELQPRQHLWYFEYYTGNNVGLFMKMNRVIYSGQSDIQRIDIFENPDLGVVFALDGITMTTEKDEFMYHEMLAHVPMFLHPNPKKVLIIGGGDGGTLREVLKHDSVEKAILCEVDGLVIEAARKYLKQTSCGFDDPRAEIVIANGAEYVRKFKNEFDVIIIDSTDPTAGQGGHLFTEEFYQACYDALKEDGVFSAETEDPFYDIGWFKLAYRRISKVFPITRVYLGFMTTYPSGMWSYTFASKGIDPIKDFDPEKVRKFNKELKYYNEEVHVASFALPNFVKKELGLMLKELERELQPRQHLWYFEYYTGNNVGLFMKMNRVIYSGQSDIQRIDIFENPDLGVVFALDGITMTTEKDEFMYHEMLAHVPMFLHPNPKKVLIIGGGDGGTLREVLKHDSVEKAILCEVDGLVIEAARKYLKQTSCGFDDPRAEIVIANGAEYVRKFKNEFDVIIIDSTDPTAGQGGHLFTEEFYQACYDALKEDGVFSAETEDPFYDIGWFKLAYRRISKVFPITRVYLGFMTTYPSGMWSYTFASKGIDPIKDFDPEKVRKFNKELKYYNEEVHVASFALPNFVKKELGLM | Nc1ncnc2c1ncn2C1OC(CSC(CC[NH3+])CCCCC[NH3+])C(O)C1O |
9_000397 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jqd | null | null | null | MRSLFHGKYVESFRRFLNHSTEHQCMQEFMDKKLPGIIGRIGDTKSEIKILSIGGGAGEIDLQILSKVQAQYPGVCINNEVVEPSAEQIAKYKELVAKTSNLENVKFAWHKETSSEYQSRMLEKKELQKWDFIHMIQMLYYVKDIPATLKFFHSLLGTNAKMLIIVVSGSSGWDKLWKKYGSRFPQDDLCQYITSDDLTQMLDNLGLKYECYDLLSTMDISDCFIDGNENGDLLWDFLTETCNFNATAPPDLRAELGKDLQEPEFSAKKEGKVLFNNTLSFIVIEA | Nc1ncnc2c1ncn2C1OC(CSCCC([NH3+])C(=O)O)C(O)C1O |
9_000398 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jqe | null | null | null | GKYVESFRRFLNHSTEHQCMQEFMDKKLPGIIGRIGDTKSEIKILSIGGGAGEIDLQILSKVQAQYPGVCINNEVVEPSAEQIAKYKELVAKISNLENVKFAWHKETSSEYQSRMLEKKELQKWDFIHMIQMLYYVKDIPATLKFFHSLLGTNAKMLIIVVSGSSGWDKLWKKYGSRFPQDDLCQYITSDDLTQMLDNLGLKYECYDLLSTMDISDCFIDGNENGDLLWDFLTETCNFNATAPPDLRAELGKDLQEPEFSAKKEGKVLFNNTLSFIVIEA | CC[NH+](CC)CCCC(C)Nc1c2ccc(Cl)cc2nc2ccc(OC)cc12 |
9_000399 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jrs | null | null | null | IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGYLEGKDSCQGDSGGPVVCSGKLQGIVSWGSGCAQKNKPGVYTKVCNYVSWIKQTIASN | CC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CO)CCCNC(=N)N |
9_000400 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jt1 | null | null | null | YPMPNPFPPFRIAGNLYYVGTDDLASYLIVTPRGNILINSDLEANVPMIKASIKKLGFKFSDTKILLISHAHFDHAAGSELIKQQTKAKYMVMDEDVSVILSGGKSDFHYANDSSTYFTQSTVDKVLHDGERVELGGTVLTAHLTPGHTRGCTTWTMKLKDHGKQYQAVIIGSIGVNPGYKLVDNITYPKIAEDYKHSIKVLESMRCDIFLGSHAGMFDLKNKYVLLSKGQNNPFVDPTGCKNYIEQKANDFYTELKKQETG | CC(CS)C(=O)N1CCCC1C(=O)O |
9_000401 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1juy | null | null | null | GNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVARRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAEAVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGATTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDRTETMILRDPFDAGNNVVVLGTQWGDEGKGKIVDLLTERAKYVVRYQGGHNAGHTLVINGEKTVLHLIPSGILRENVTSIIGNGVVLSPAALMKEMKELEDRGIPVRERLLLSEACPLILDYHVALDNAREKARGAKAIGTTGRGIGPAYEDKVARRGLRVGDLFDKETFAEKLKEVMEYHNFQLVNYYKAEAVDYQKVLDDTMAVADILTSMVVDVSDLLDQARQRGDFVMFEGAQGTLLDIDHGTYPYVTSSNTTAGGVATGSGLGPRYVDYVLGILKAYSTRVGAGPFPTELFDETGEFLCKQGNEFGATTGRRRRTGWLDTVAVRRAVQLNSLSGFCLTKLDVLDGLKEVKLCVAYRMPDGREVTTTPLAADDWKGVEPIYETMPGWSESTFGVKDRSGLPQAALNYIKRIEELTGVPIDIISTGPDRTETMILRDPFDA | O=C1NC(=O)C2(N1)OC(COP(=O)(O)O)C(O)C2O |
9_000402 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jwm | null | null | null | EEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDAGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDKFLAHDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG | CC(C)CC(NC(=O)C(CCCC[NH3+])NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCC[NH3+])NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCC[NH3+])NC(=O)C1CCC[NH2+]1)C(C)C)C(C)O)C(=O)NC(C)C(=O)NC(C(=O)O)C(C)O |
9_000403 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jws | null | null | null | EEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDAGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDGMFNWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG | CC(C)CC(NC(=O)C(CCCC[NH3+])NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCC[NH3+])NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCC[NH3+])NC(=O)C1CCC[NH2+]1)C(C)C)C(C)O)C(=O)NC(C)C(=O)NC(C(=O)O)C(C)O |
9_000404 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jwt | null | null | null | TFGSGEADCGLRPLFEKKSLEDKTERELLESYIDGRIVEGSDAEIGMSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTENDLLVRIGKHSRTRYERNIEKISMLEKIYIHPRYNWRENLDRDIALMKLKKPVAFSDYIHPVCLPDRETAASLLQAGYKGRVTGWGNLKETWGQPSVLQVVNLPIVERPVCKDSTRIRITDNMFCAGYKPDEGKRGDACEGDSGGPFVMKSPFNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDQFGEDFEEIPEEYL | N=C(NO)N1CCC(CNC(=O)C2CCC3CN(S(=O)(=O)Cc4ccccc4)CC(=O)N32)CC1 |
9_000405 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jwu | null | null | null | EEHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDAGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG | CC(C)CC(NC(=O)C(CCCC[NH3+])NC(=O)C(CC(C)C)NC(=O)C(NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC(=O)C(CCCC[NH3+])NC(=O)C(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(CCCC[NH3+])NC(=O)C1CCC[NH2+]1)C(C)C)C(C)O)C(=O)NC(C)C(=O)NC(C(=O)O)C(C)O |
9_000406 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1jyi | null | null | null | ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGTDGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDANADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGTDGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDANADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGTDGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDANADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAHIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLYKETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGTDGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN | CC(NC(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C1CCCN1C(=O)C(Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C([NH3+])CC(=O)O)C(C)C)C(=O)NC(CO)C(=O)NCC(=O)NC(CO)C(=O)O |
9_000407 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1k03 | null | null | null | SFVKDFKPQALGDTNLFKPIKIGNNELLHRAVIPPLTRMRALHPGNIPNRDWAVEYYTQRAQRPGTMIITEGAFISPQAGGYDNAPGVWSEEQMVEWTKIFNAIHEKKSFVWVNLWVLGWAAFPDNLARDGLRYDSASDNVFMDAEQEAKAKKANNPQHSLTKDEIKQYIKEYVQAAKNSIAAGADGVEIHSANGYLLNQFLDPHSNTRTDEYGGSIENRARFTLEVVDALVEAIGHEKVGLRLSPYGVFNSMSGGAETGIVAQYAYVAGELEKRAKAGKRLAFVHLVEPRVTNPFLTEGEGEYEGGSNDFVYSIWKGPVIRAGNFALHPEVVREEVKDKRTLIGYGRFFISNPDLVDRLEKGLPLNKYDRDTFYQMSAHGYIDYPTYEEALKLGWDKK | O=Cc1ccc(O)cc1 |
9_000408 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1k1p | null | null | null | IVGGYTCGANTVPYQVSLNSGYHFCGGSLINSQWVVSAAHCYKSGIQVRLGEDNINVVEGNEQFISASKSIVHPSYNSNTLNNDIMLIKLKSAASLNSRVASISLPTSCASAGTQCLISGWGNTKSSGTSYPDVLKCLKAPILSDSSCKSAYPGQITSNMFCAGLEGGDSCQGDSGGPVVCSGKLQGIVSWGSGCAKNKPGVYTKVCNYVSWIKQTIASN | N=C(N)c1ccc(CNC(=O)C2CCN2C(=O)C([NH2+]CC(=O)O)C2CCCCC2)cc1 |
9_000409 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1k2i | null | null | null | CGVPAIQPVLIVNGEEAVPGSWPWQVSLQDKTGFHFCGGSLINENWVVTAAHCGVTTSDVVVAGEFDQGSSSEKIQKLKIAKVFKNSKYNSLTINNDITLLKLSTAASFSQTVSAVCLPSASDDFAAGTTCVTTGWGLTRYTPDRLQQASLPLLSNTNCKKYWGTKIKDAMICAGASGVSSCMGDSGGPLVCKKNGAWTLVGIVSWGSSTCSTSTPGVYARVTALVNWVQQTLAAN | O=C/C=C/c1ccc(O)cc1O |
9_000410 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1k3n | null | null | null | ATQRFLIEKFSQEQIGENIVCRVICTTGQIPIRDLSADISQVLKEKRSIKKVWTFGRNPACDYHLGNISRLSNKHFQILLGEDGNLLLNDISTNGTWLNGQKVEKNSNQLLSQGDEITVGVGVESDILSLVIFINDKFKQCLEQNKVDRIR | CSCCC(NC(=O)C(CCCC[NH3+])NC(=O)C([NH3+])CCCC[NH3+])C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)N1CCCC1C(=O)NC(C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)O)C(C)O)C(C)OP(=O)(O)O)C(C)O |
9_000411 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1k3q | null | null | null | ATQRFLIEKFSQEQIGENIVCRVICTTGQIPIRDLSADISQVLKEKRSIKKVWTFGRNPACDYHLGNISRLSNKHFQILLGEDGNLLLNDISTNGTWLNGQKVEKNSNQLLSQGDEITVGVGVESDILSLVIFINDKFKQCLEQNKVDRIR | CC(C)CC(NC(=O)C([NH3+])CO)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC(C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(C(=O)NC(Cc1ccccc1)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)O)C(C)C)C(C)O)C(C)OP(=O)(O)O)C(C)C |
9_000412 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1k3t | null | null | null | MPIKVGINGFGRIGRMVFQALCEDGLLGTEIDVVAVVDMNTDAEYFAYQMRYDTVHGKFKYEVTTTKSSPSVAKDDTLVVNGHRILCVKAQRNPADLPWGKLGVEYVIESTGLFTAKAAAEGHLRGGARKVVISAPASGGAKTLVMGVNHHEYNPSEHHVVSNASCTTNCLAPIVHVLVKEGFGVQTGLMTTIHSYTATQKTVDGVSVKDWRGGRAAAVNIIPSTTGAAKAVGMVIPSTQGKLTGMSFRVPTPDVSVVDLTFTAARDTSIQEIDAALKRASKTYMKGILGYTDEELVSADFINDNRSSIYDSKATLQNNLPKERRFFKIVSWYDNEWGYSHRVVDLVRHMASKDRSARLMPIKVGINGFGRIGRMVFQALCEDGLLGTEIDVVAVVDMNTDAEYFAYQMRYDTVHGKFKYEVTTTKSSPSVAKDDTLVVNGHRILCVKAQRNPADLPWGKLGVEYVIESTGLFTAKAAAEGHLRGGARKVVISAPASGGAKTLVMGVNHHEYNPSEHHVVSNASCTTNCLAPIVHVLVKEGFGVQTGLMTTIHSYTATQKTVDGVSVKDWRGGRAAAVNIIPSTTGAAKAVGMVIPSTQGKLTGMSFRVPTPDVSVVDLTFTAARDTSIQEIDAALKRASKTYMKGILGYTDEELVSADFINDNRSSIYDSKATLQNNLPKERRFFKIVSWYDNEWGYSHRVVDLVRHMASKDRSARLMPIKVGINGFGRIGRMVFQALCEDGLLGTEIDVVAVVDMNTDAEYFAYQMRYDTVHGKFKYEVTTTKSSPSVAKDDTLVVNGHRILCVKAQRNPADLPWGKLGVEYVIESTGLFTAKAAAEGHLRGGARKVVISAPASGGAKTLVMGVNHHEYNPSEHHVVSNASCTTNCLAPIVHVLVKEGFGVQTGLMTTIHSYTATQKTVDGVSVKDWRGGRAAAVNIIPSTTGAAKAVGMVIPSTQGKLTGMSFRVPTPDVSVVDLTFTAARDTSIQEIDAALKRASKTYMKGILGYTDEELVSADFINDNRSSIYDSKATLQNNLPKERRFFKIVSWYDNEWGYSHRVVDLVRHMASKDRSARLMPIKVGINGFGRIGRMVFQALCEDGLLGTEIDVVAVVDMNTDAEYFAYQMRYDTVHGKFKYEVTTTKSSPSVAKDDTLVVNGHRILCVKAQRNPADLPWGKLGVEYVIESTGLFTAKAAAEGHLRGGARKVVISAPASGGAKTLVMGVNHHEYNPSEHHVVSNASCTTNCLAPIVHVLVKEGFGVQTGLMTTIHSYTATQKTVDGVSVKDWRGGRAAAVNIIPSTTGAAKAVGMVIPSTQGKLTGMSFRVPTPDVSVVDLTFTAARDTSIQEIDAALKRASKTYMKGILGYTDEELVSADFINDNRSSIYDSKATLQNNLPKERRFFKIVSWYDNEWGYSHRVVDLVRHMASKDRSARL | C=CC(C)(C)C1=Cc2cc3c(cc2OC1O)OC(C(C)(C)O)C3 |
9_000413 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1k9q | null | null | null | FEIPDDVPLPAGWEMAKTSSGQRYFLNHIDQTTTWQDPRK | CCCCCCCC[NH2+]CC(=O)N1CCCC1C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(N)=O |
9_000414 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1k9r | null | null | null | FEIPDDVPLPAGWEMAKTSSGQRYFLNHIDQTTTWQDPRK | CC(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)N1CCCC1C(=O)N1CCCC1C(=O)NC(Cc1ccc(O)cc1)C(=O)O |
9_000415 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1ka7 | null | null | null | MDAVAVYHGKISRETGEKLLLATGLDGSYLLRDSESVPGVYCLCVLYHGYIYTYRVSQTETGSWSAETAPGVHKRYFRKIKNLISAFQKPDQGIVIPLQYPVEKKSS | CCC(C)C(NC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CO)NC(=O)C(CCCC[NH3+])NC(=O)C([NH3+])CCCNC(=N)N)C(C)O)C(=O)NC(Cc1ccc(O)cc1)C(=O)NC(C)C(=O)NC(CCC(N)=O)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CCCC[NH3+])C(=O)O)C(C)C |
9_000416 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kak | null | null | null | EMEKEFEQIDKSGSWAAIYQDIRHEASDFPCRVAKLPKNKNRNRYRDVSPFDHSRIKLHQEDNDYINASLIKMEEAQRSYILTQGPLPNTCGHFWEMVWEQKSRGVVMLNRVMEKGSLKCAQYWPQKEEKEMIFEDTNLKLTLISEDIKSYYTVRQLELENLTTQETREILHFHYTTWPDFGVPESPASFLNFLFKVRESGSLSPEHGPVVVHCSAGIGRSGTFCLADTCLLLMDKRKDPSSVDIKKVLLEMRKFRMGLIQTADQLRFSYLAVIEGAKFIMGDSSVQDQWKELSHED | O=P(O)(O)C(F)(F)c1ccc2ccc(C(F)(F)P(=O)(O)O)cc2c1 |
9_000417 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kcs | null | null | null | DIVMTQSPKSMGMSVGEAVTLNCKASENVGTYVSWYQQKPGQSPVLLIYGASNRYTGVPDRFTGSGSATDFTLTISSVQADDDADYYCGQSYSSPLTFGGGTKLELKRADAAPTSSIFPPSSEQLSSGGASVVCFLNSFYPKSIAVKWKVDGSKRANGTANSWTDQDSASSTYSMSSTLTLTKDKYERHNSYTCEATHKTSSSPVVKSFNRNECQVTLSQSGPGLVKPSQSLSLTCTVTSYSITSDYAWNWIRQFAGQSLEWMGYISYSGSTSYNPSLKSRISITRDTSKNQFFLQLNSVTTDDTATYYCARGGTGFPYWGTGTNVTVSAASTTAPSVFPLVPGSATAAASAVTLGCLVKGYFPEPVTVAWNEGALSSGVLTVSAVLQSGLYTLSSNTTVASGTWPSASVTCLVAHPKSSTAADKKIEPKD | CC(C)CC(NC(=O)C([NH3+])CCC(N)=O)C(=O)NC(CC(=O)O)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)O |
9_000418 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kds | null | null | null | APQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ | O=[N+]([O-])c1cccc(B(O)O)c1 |
9_000419 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kdw | null | null | null | APQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ | O=C(O)c1ccc(B(O)O)cc1 |
9_000420 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1ke0 | null | null | null | APQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ | O=C(O)/C=C/c1ccc(B(O)O)cc1 |
9_000421 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1ke3 | null | null | null | APQQINDIVHRTITPLIEQQKIPGMAVAVIYQGKPYYFTWGYADIAKKQPVTQQTLFELGSVSKTFTGVLGGDAIARGEIKLSDPTTKYWPELTAKQWNGITLLHLATYTAGGLPLQVPDEVKSSSDLLRFYQNWQPAWAPGTQRLYANSSIGLFGALAVKPSGLSFEQAMQTRVFQPLKLNHTWINVPPAEEKNYAWGYREGKAVHVSPGALDAEAYGVKSTIEDMARWVQSNLKPLDINEKTLQQGIQLAQSRYWQTGDMYQGLGWEMLDWPVNPDSIINGSDNKIALAARPVKAITPPTPAVRASWVHKTGATGGFGSYVAFIPEKELGIVMLANKNYPNPARVDAAWQILNALQ | OB(O)c1ccc(-c2ccc(B(O)O)cc2)cc1 |
9_000422 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1ke5 | null | null | null | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL | CNS(=O)(=O)c1ccc(N/C=C2\C(=O)Nc3ccccc32)cc1 |
9_000423 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1ke6 | null | null | null | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL | CNS(=O)(=O)Cc1ccc(N/N=C2\C(=O)Nc3ccc4ncsc4c32)cc1 |
9_000424 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1ke7 | null | null | null | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL | O=C1Nc2ccc(-c3cnco3)cc2/C1=C/Nc1ccc2c(c1)CS(=O)(=O)C2 |
9_000425 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1ke8 | null | null | null | MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRVPSTAIREISLLKELNHPNIVKLLDVIHTENKLYLVFEFLHQDLKKFMDASALTGIPLPLIKSYLFQLLQGLAFCHSHRVLHRDLKPQNLLINTEGAIKLADFGLARAFGVVTLWYRAPEILLGCKYYSTAVDIWSLGCIFAEMVTRRALFPGDSEIDQLFRIFRTLGTPDEVVWPGVTSMPDYKPSFPKWARQDFSKVVPPLDEDGRSLLSQMLHYDPNKRISAKAALAHPFFQDVTKPVPHLRL | O=C1Nc2ccccc2/C1=C/Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 |
9_000426 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kf0 | null | null | null | SLSNKLTLDKLNVKGKRVVMRVDFNVPMKNNQITNNQRIKAAVPSIKFCLDDGAKSVVLMSHLGRPDGSPMPDKYSLQPVAVELKSLLGKDVLFLKDCVGPEVEKACADPAAGSVILLENLRFHVEEEGKGKDASGNKVKAEPAKIKTFRASLSKLGDVYVNDAFGTAHRAHSSMVGVNLPKKAGGFLMKKELNYFAKALESPERPFLAILGGAKVADKIQLINNMLDKVNEMIIGGGMAFTFLKVLNNMEIGTSLFDEEGAKIVKNLMSKAEKNGVKITLPVDFVTADKFDEHAKTGQATVASGIPAGWMGLDCGPESSKKYSEAVARAKQIVWNGPVGVFEWEAFAQGTKALMDEVVKATSRGCITIIGGGDTATCCAKWNTEDKVSHVSTGGGASLELLEGKVLPGVDALSNV | Nc1ncnc2c1ncn2C1OC(COP(=O)(O)OP(=O)(O)CP(=O)(O)O)C(O)C1O |
9_000427 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kf6 | null | null | null | MQTFQADLAIVGAGGAGLRAAIAAAQANPNAKIALISKVYPMRSHTVAAEGGSAAVAQDHDSFEYHFHDTVAGGDWLCEQDVVDYFVHHCPTEMTQLELWGCPWSRRPDGSVNVRRFGGMKIERTWFAADKTGFHMLHTLFQTSLQFPQIQRFDEHFVLDILVDDGHVRGLVAMNMMEGTLVQIRANAVVMATGGAGRVYRYNTNGGIVTGDGMGMALSHGVPLRDMEFVQYHPTGLPGSGILMTEGCRGEGGILVNKNGYRYLQDYGMGPETPLGEPKNKYMELGPRDKVSQAFWHEWRKGNTISTPRGDVVYLDLRHLGEKKLHERLPFICELAKAYVGVDPVKEPIPVRPTAHYTMGGIETDQNCETRIKGLFAVGECSSVGLHGANRLGSNSLAELVVFGRLAGEQATERAATAGNGNEAAIEAQAAGVEQRLKDLVNQDGGENWAKIRDEMGLAMEEGCGIYRTPELMQKTIDKLAELQERFKRVRITDTSSVFNTDLLYTIELGHGLNVAECMAHSAMARKESRGAHQRLDEGCTERDDVNFLKHTLAFRDADGTTRLEYSDVKITTLPPAAEMKNLKIEVVRYNPEVDTAPHSAFYEVPYDATTSLLDALGYIKDNLAPDLSYRWSCRMAICGSCGMMVNNVPKLACKTFLRDYTDGMKVEALANFPIERDLVVDMTHFIESLEAIKPYIIGNSRTADQGTNIQTPAQMAKYHQFSGCINCGLCYAACPQFGLNPEFIGPAAITLAHRYNEDSRDHGKKERMAQLNSQNGVWSCTFVGYCSEVCPKHVDPAAAIQQGKVESSKDFLIATLKPRTTKRKPYVRPMTSTWWKKLPFYRFYMLREGTAVPAVWFSIELIFGLFALKNGPEAWAGFVDFLQNPVIVIINLITLAAALLHTKTWFELAPKAANIIVKDEKMGPEPIIKSLWAVTVVATIVILFVALYWMINPNPKRSDEPVFWGLFGAGGMWSAIIAPVMILLVGILLPLGLFPGDALSYERVLAFAQSFIGRVFLFLMIVLPLWCGLHRMHHAMHDLKIHVPAGKWVFYGLAAILTVVTLIGVVTI | CCCCCCCC1=CC(=O)c2ccccc2[N+]1=O |
9_000428 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kfy | null | null | null | MQTFQADLAIVGAGGAGLRAAIAAAQANPNAKIALISKVYPMRSHTVAAEGGSAAVAQDHDSFEYHFHDTVAGGDWLCEQDVVDYFVHHCPTEMTQLELWGCPWSRRPDGSVNVRRFGGMKIERTWFAADKTGFHMLHTLFQTSLQFPQIQRFDEHFVLDILVDDGHVRGLVAMNMMEGTLVQIRANAVVMATGGAGRVYRYNTNGGIVTGDGMGMALSHGVPLRDMEFVQYHPTGLPGSGILMTEGCRGEGGILVNKNGYRYLQDYGMGPETPLGEPKNKYMELGPRDKVSQAFWHEWRKGNTISTPRGDVVYLDLRHLGEKKLHERLPFICELAKAYVGVDPVKEPIPVRPTAHYTMGGIETDQNCETRIKGLFAVGECSSVGLHGANRLGSNSLAELVVFGRLAGEQATERAATAGNGNEAAIEAQAAGVEQRLKDLVNQDGGENWAKIRDEMGLAMEEGCGIYRTPELMQKTIDKLAELQERFKRVRITDTSSVFNTDLLYTIELGHGLNVAECMAHSAMARKESRGAHQRLDEGCTERDDVNFLKHTLAFRDADGTTRLEYSDVKITTLPPAAEMKNLKIEVVRYNPEVDTAPHSAFYEVPYDATTSLLDALGYIKDNLAPDLSYRWSCRMAICGSCGMMVNNVPKLACKTFLRDYTDGMKVEALANFPIERDLVVDMTHFIESLEAIKPYIIGNSRTADQGTNIQTPAQMAKYHQFSGCINCGLCYAACPQFGLNPEFIGPAAITLAHRYNEDSRDHGKKERMAQLNSQNGVWSCTFVGYCSEVCPKHVDPAAAIQQGKVESSKDFLIATLKPRTTKRKPYVRPMTSTWWKKLPFYRFYMLREGTAVPAVWFSIELIFGLFALKNGPEAWAGFVDFLQNPVIVIINLITLAAALLHTKTWFELAPKAANIIVKDEKMGPEPIIKSLWAVTVVATIVILFVALYWMINPNPKRSDEPVFWGLFGAGGMWSAIIAPVMILLVGILLPLGLFPGDALSYERVLAFAQSFIGRVFLFLMIVLPLWCGLHRMHHAMHDLKIHVPAGKWVFYGLAAILTVVTLIGVVTI | CC(c1ccc(Cl)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O |
9_000429 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kkq | null | null | null | TADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMYTADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMYTADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMYTADLKSLAKRIYEAYLKNFNMNKVKARVILSGKASNNPPFVIHDMETLCMAEKTLVAKLVANGIQNKEAEVRIFHCCQCTSVETVTELTEFAKAIPGFANLDLNDQVTLLKYGVYEAIFAMLSSVMNKDGMLVAYGNGFITREFLKSLRKPFCDIMEPKFDFAMKFNALELDDSDISLFVAAIICCGDRPGLLNVGHIEKMQEGIVHVLRLHLQSNHPDDIFLFPKLLQKMADLRQLVTEHAQLVQIIKKTESDAALHPLLQEIYRDMY | CCC(=O)NCC(Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)N/C(C)=C\C(=O)c1ccc(C(F)(F)F)cc1 |
9_000430 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1klg | null | null | null | EHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSSKGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG | CCC(C)C(NC(=O)CNC(=O)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C[NH3+])C(C)CC)C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)C(C)C |
9_000431 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kll | null | null | null | ARISLFAVVVEDMAKSMEFYRKMGVEIPAEADSAPHTEAVLDGGIRLAWDTVETVRSYDPEWQAPTGGHRFAIAFEFPDTASVDKKYAELVDAGYEGHLKPWNAVWGQRYAIVKDPDGNVVDLFAPLPARISLFAVVVEDMAKSMEFYRKMGVEIPAEADSAPHTEAVLDGGIRLAWDTVETVRSYDPEWQAPTGGHRFAIAFEFPDTASVDKKYAELVDAGYEGHLKPWNAVWGQRYAIVKDPDGNVVDLFAPLP | Cc1c(N)c(O)c2c(c1O)[N+]1=CC([NH3+])C(O)C1=C2COC(N)=O |
9_000432 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1klu | null | null | null | EHVIIQAEFYLNPDQSGEFMFDFDGDEIFHVDMAKKETVWRLEEFGRFASFEAQGALANIAVDKANLEIMTKRSNYTPITNVPPEVTVLTNSPVELREPNVLICFIDKFTPPVVNVTWLRNGKPVTTGVSETVFLPREDHLFRKFHYLPFLPSTEDVYDCRVEHWGLDEPLLKHWEFDAGDTRPRFLWQLKFECHFFNGTERVRLLERCIYNQEESVRFDSDVGEYRAVTELGRPDAEYWNSQKDLLEQRRAAVDTYCRHNYGVGESFTVQRRVEPKVTVYPSKTQPLQHHNLLVCSVSGFYPGSIEVRWFRNGQEEKAGVVSTGLIQNGDWTFQTLVMLETVPRSGEVYTCQVEHPSVTSPLTVEWRAESQPDPMPDDLHKSSEFTGTMGNMKYLYDDHYVSATKVKSVDSFFKWDLIYNISDKKLKNYDKVKTELLNEDLAKKYKDEVVDVYGSNYYVNCYFSGGKTCMYGGITKHEGNHFDNGNLQNVLVRVYENKRNTISFEVQTDKKSVTAQELDIKARNFLINKKNLYEFNSSPYETGYIKFIENNGNTFWYDMMPAPGDKFDQSKYLMMYNDNKTVDSKSVKIEVHLTTKNG | CCC(C)C(NC(=O)C(CC(C)C)NC(=O)C(CCC(=O)O)NC(=O)C[NH3+])C(=O)NCC(=O)NC(C(=O)NC(CC(C)C)C(=O)NC(CC(N)=O)C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCC[NH3+])C(=O)NC(C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)O)C(C)C)C(C)O |
9_000433 | /tmp/hf-datasets-cache/medium/datasets/26039120274355-config-parquet-and-info-djh992-pdbbind_complex_GB-8ccad5b8/downloads/70c3b98392de225c9b2ad63e4ba3d7021b154996d7c8fc7e427e4a24378f1c85 | null | 1kmv | null | null | null | VGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKN | COc1ccc(OC)c(/C=C\c2cnc3nc(N)nc(N)c3c2C)c1 |