LiteFold/PDB huggingface dataset:
PDB entry 5sf4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nn1CCN(C)C)c2ccccn2)NC(c3nc(ccc3Nc4cncnc4)C5CC5)=O, micromolar IC50=0.001046
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.25 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sf5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(nn2c1nc(c2C)C)CCc3nc(cn3C)c4ccccc4, micromolar IC50=0.0034475
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sf6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(CCCC1)c2nn(c(n2)CCc4nn3c(nc(c3C)C)c(n4)NC(C)C)C, micromolar IC50=0.002775
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sf7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c2c(ccc1OC)C(=O)N(c3c(nc(n23)c4c(Cl)cccc4)C)C, micromolar IC50=0.0075033
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.08 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sf8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(cccc1)c2nn(c(n2)CCNC(c3c(cnn3C)C(=O)N4CCC4)=O)c5ccccn5, micromolar IC50=0.000474
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-01-21
Authors: Joseph, C., Koerner, M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sf9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc2c(c1)nc(c(n2)C)OCc3nc(cn3C)c4ccccc4, micromolar IC50=0.004192
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.37 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfa: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1cc(nc(c1OCc2nc(cn2C)c3ccccc3)C(N[C@@H]4COCC4)=O)C5CC5, micromolar IC50=0.150444
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.32 Å
Deposited: 2022-01-21
Authors: Joseph, C., Koerner, M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nn2c1nc(c2C)C)CCc3nc(nn3C)N4CCCC4)C(NC)=O, micromolar IC50=0.0021475
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfc: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(cnn1C)C(Nc3nc2nc(cn2cc3)c4ccccc4)=O)C(N5CCC5)=O, micromolar IC50=2.191865
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.18 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfd: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(nc(nc1CCc2nn3c(n2)c(ncc3C)C)N4CCCCC4)C, micromolar IC50=0.03165
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.05 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfe: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(nc1nc(cn1cc2)c3cc(ccc3)F)NC(c4c(cnn4C)C(N(C)C)=O)=O, micromolar IC50=0.011191
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.86 Å
Deposited: 2022-01-21
Authors: Joseph, C., Gobbi, L., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sff: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(nn2c1nc(c2CO)C)C#Cc3nc(cn3C)c4ccccc4, micromolar IC50=0.00103
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(ccc1Nc2cncnc2)C3CC3)C(N[C@H]5CN(c4ccc(cn4)Cl)CC5)=O, micromolar IC50=0.006043
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.31 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfh: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N(C1CC1)(C)c2nn(c(n2)CCc4nn3c(cnc(c3n4)C)C)C, micromolar IC50=0.042255
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfi: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(nc(nc1CCc2nn3c(n2)c(ncc3C)C)N4[C@H](CCC4)C)C, micromolar IC50=0.028433
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.01 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfj: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(c(C(=O)NCc1ncccc1)cnn2C)C(=O)Nc4nc3nc(cn3cc4)c5ccccc5, micromolar IC50=0.0118605
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.41 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfk: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(ccc1Nc2cncnc2)C3CC3)C(=O)Nc4nn(CC(F)(F)F)cc4, micromolar IC50=0.00639
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.33 Å
Deposited: 2022-01-21
Authors: Joseph, C., Rodriguez-Sarmiento, R.M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfl: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ncc(cn1)Nc3ncc(C2CC2)nc3C(=O)Nc4c(C(NCC(C)(O)C)=O)n(nc4)C, micromolar IC50=0.0032582
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.13 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfm: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n3cn1c(nc(n1)c2ccccc2)cc3NC(=O)c5c(C(=O)N4CCOCC4)cnn5C, micromolar IC50=0.0012349
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2022-01-21
Authors: Joseph, C., Lerner, C., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfn: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(cccc1)n(C)c(n2)CCNC(c4c(C(=O)N3CCC3)cnn4C)=O, micromolar IC50=0.01602
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.02 Å
Deposited: 2022-01-21
Authors: Joseph, C., Koerner, M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfo: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(cc(c1ccccc1)nc2CCNC(c4c(C(=O)N3CCC3)cnn4C)=O)C, micromolar IC50=0.004013
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.96 Å
Deposited: 2022-01-21
Authors: Joseph, C., Koerner, M., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfp: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c3(cn1c(cc(n1)c2ccccc2)cc3)C(=O)Nc4ccnc(c4)Cl, micromolar IC50=0.036749
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(c(c(C(=O)N1CCC1)cn2)C(Nc3nn(CC(F)F)cc3)=O)C, micromolar IC50=0.274828
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.21 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfr: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(C(=O)N(C)CC)cnn1C)C(Nc3nc2nc(cn2cc3)c4cc(ccc4)OCCF)=O, micromolar IC50=0.006128
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.04 Å
Deposited: 2022-01-21
Authors: Joseph, C., Gobbi, L., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfs: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(C)c1nc(nn1c(c2)C)CCc3nc(nn3C)N4CC[C@@H](C4)C, micromolar IC50=0.012855
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.24 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sft: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1(CCCC1)c2nc(nn2C)CCc4nn3c(cnc(c3n4)C)C, micromolar IC50=0.0029272
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.32 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfu: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(c(Nc1cncnc1)ccc(n2)C3CC3)C(Nc5c(C(N4CCCC4)=O)ccnc5)=O, micromolar IC50=0.018722
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.4 Å
Deposited: 2022-01-21
Authors: Joseph, C., Groebke-Zbinden, K., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(c(c(C(N1CCC1)=O)cn2)C(Nc4nn(C3CCCC3)cc4)=O)C, micromolar IC50=0.075252
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.41 Å
Deposited: 2022-01-21
Authors: Joseph, C., Peters, J.U., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n4c(CC)n1c(nc(n1)CCc2nc(nn2C)N3CCCC3)c(c4)C, micromolar IC50=0.004899
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-01-21
Authors: Joseph, C., Lerner, C., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfx: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2(c(c(C(=O)N1CCC1)cn2)C(Nc3ccc4c(c3)nc(s4)NC(C)=O)=O)C, micromolar IC50=0.012183
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.04 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(c1nc(nn1c(c2)C)\C=C\c3nc(nn3C)c4c[nH]nc4)C, micromolar IC50=0.22176
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.08 Å
Deposited: 2022-01-21
Authors: Joseph, C., Flohr, A., Benz, J., Schlatter, D., Rudolph, M.G.
PDB entry 5sfz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccnn1c2ccccc2)NC(=O)NCCc3c(oc(n3)c4ccccc4)C, micromolar IC50=0.843056
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sg0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N3(c1ccnn1c2ccccc2)CCN(C3=O)CCc4c(oc(n4)c5ccccc5)C, micromolar IC50=0.809009
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.06 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sg1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c1ccc5c(n1nc2CCc3nc(nn3C)N4CCCC4)cccc5, micromolar IC50=0.029195
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.41 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Lerner, C., Rudolph, M.G.
PDB entry 5sg2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(N)n(c3c1c2c(nccc2)cc3)C, micromolar IC50=32.68161
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sg3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccc(cc1)[C@@H](C(N\N=C\c2cc(c(Br)c(c2)OC)OC)=O)OCC)N3CCOCC3, micromolar IC50=0.0063575
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sg4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N(C(=O)c1c(cnn1C)C(=O)N)c3ccc2[nH]c(nc2c3)c4cccc(c4)Cl, micromolar IC50=0.009485
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sg5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(c4c(N=C(N1)CN(C(Nc2ccc(cc2)C)=O)Cc3ccc(cc3)OC)cccc4)=O, micromolar IC50=0.032264
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.17 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sg6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(c1nn(c(n1)CCc3nn2c(cnc(C)c2n3)C)C)CCCC4, micromolar IC50=0.0040613
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.96 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sg7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N1=C(C(=O)C=CN1c2cccc(c2)C(F)(F)F)c3ccnn3c4c(cccc4)F, micromolar IC50=0.07
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sg8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cnc(nc1OCC)N)OCCCC, micromolar IC50=5.076956
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Gruessner, A., Rudolph, M.G.
PDB entry 5sg9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nc(n1)\C=C\c3nc2ccccc2cc3)C)N4CCCC4, micromolar IC50=0.536555
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.13 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Neidhart, W., Rudolph, M.G.
PDB entry 5sga: Structures of product and inhibitor complexes of Streptomyces griseus protease a at 1.8 Angstroms resolution. a model for serine protease catalysis
Classification: HYDROLASE/HYDROLASE INHIBITOR
Source organism: Streptomyces griseus
Experimental method: X-RAY DIFFRACTION
Resolution: 1.8 Å
Deposited: 1990-05-29
Authors: Sielecki, A.R., James, M.N.G.
PDB entry 5sgb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n3ncc(Oc1ccc(c2c1cccc2)Cl)s3, micromolar IC50=>10
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.39 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sgc: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n3cn1c(nc(n1)N2CCOCC2)cc3NC(c4c(cnn4C)C(N5CCC5)=O)=O, micromolar IC50=0.004831
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.09 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Lerner, C., Rudolph, M.G.
PDB entry 5sgd: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(c(c(COC)cn1)C(=O)Nc3cc2nc(nn2cc3)c4ccccc4)C, micromolar IC50=0.01444
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.54 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sge: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(cccc1)NC(n3c2ncc3)=O, micromolar IC50=7.776412
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Hunkeler, W., Rudolph, M.G.
PDB entry 5sgf: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(C(OCC)=O)cnn1C)C(NCCC)=O, micromolar IC50=6.982255
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sgg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12cc4c(cc1[nH]c(n2)SCc3c(C)c(c(cn3)C)Cl)OCC4, micromolar IC50=0.359161
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.09 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Krasso, A., Rudolph, M.G.
PDB entry 5sgh: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(nc2c1cnn2C)OCc3nc(cn3C)c4ccccc4)N5CCOCC5, micromolar IC50=0.010108
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.97 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sgi: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(nc1[nH]cnc1c2Oc3cc(ccc3)C)N5CCN(c4ncccc4)CC5, micromolar IC50=0.035
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.97 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sgj: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4c(nc(C(Nc1c(cc2c(c1)nc([nH]2)c3ccccc3)C(NC)=O)=O)c(c4)C)C, micromolar IC50=0.007516
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.66 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sgk: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [C@@H]2(Cc1nc(cn1CC2)c3ccccc3C)NC(=O)c5c(C(=O)N4CCC4)cnn5C, micromolar IC50=0.007851
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.13 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Bleicher, K., Rudolph, M.G.
PDB entry 5sgl: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccc(cc1)[C@H](OCC)C(=O)N\N=C\c2cc(c(Br)c(c2)OC)OC)n3nccc3, micromolar IC50=0.001626
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.28 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sgm: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2cc1nc(cn1cc2)c3ccc(cc3)F)=O)n(nc4)C)C(=O)N(C)C, micromolar IC50=0.000250
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sgn: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(nc(nc1CCc3nn2c(nc(c2C)C)c(c3)C(F)(F)F)N4CCCC4)C, micromolar IC50=0.164550
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.07 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sgo: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1cnc(c2c1scc2c3ccc(cc3)F)OCCCOc4cc(ccc4)NC(=O)C, micromolar IC50=0.012
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Leal, L., Rudolph, M.G.
PDB entry 5sgp: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2cc1nc(cn1cc2)c3ccccc3)=O)n(nc4)C)C(=O)N(C)CCOC, micromolar IC50=0.022639
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.95 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sgq: Crystal Structure of human phosphodiesterase 10 in complex with 6-cyclopropyl-3-(pyrimidin-5-ylamino)pyrazine-2-carboxylic acid
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.04 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sgr: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(ccc1)c2cn(c(n2)COc4nc3cc(ccc3nc4Cl)C)C, micromolar IC50=0.005058
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.04 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sgs: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1nc(ccc1)N4C[C@@H](CCc3nc2ccccc2nc3C)CC4, micromolar IC50=0.102832
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sgt: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(CCC1=Nc3c(C(N1c2ccc(cc2)OC)=O)cccc3)C(=O)c5c(C4=O)cccc5, micromolar IC50=0.123689
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.26 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sgu: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(nc2c(c1)nc(C)c3c(nc(n23)CCC)C)OC, micromolar IC50=0.01038217
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.14 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sgv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(=NN(C=CC1=O)Cc2ccccc2)c3ccnn3c4ccccc4, micromolar IC50=0.093977
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sgw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1ccccc1)CCC2=O)c3ccnn3c4ccccc4, micromolar IC50=0.256978
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sgx: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(c1nn(c(n1)CCc3nn2c(ncc(C)c2n3)C)C)CCC[C@@H]4C(F)(F)F, micromolar IC50=0.027384
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.93 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sgy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12nc(cn1ccc(n2)NC(c3c(cnn3CC(C)C)Cl)=O)c4ccccc4, micromolar IC50=0.018785
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.36 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sgz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(OC)nc2c(c1)NC(c3c(nc(n23)c4ccccc4Cl)C)=O, micromolar IC50=0.006584
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sh0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(N(C)c1cc(ccc1N2C)NC(CN([S](=O)(C)=O)c4c3ccccc3ccc4)=O)=O, micromolar IC50=1.2831377
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.29 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sh1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ccc4c(c1OCCc2c(C)oc(n2)c3ccccc3)nccc4, micromolar IC50=0.416097
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Binggeli, A., Rudolph, M.G.
PDB entry 5sh2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(c1c(cnn1C)C(N2CCC2)=O)(=O)Nc3cc4c(cc3)sc(n4)N5CCOCC5, micromolar IC50=0.001856
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.19 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sh3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nn2c1nc(c2C)C)CCc3nc(nn3C)N4CCCC4)[S](C)(=O)=O, micromolar IC50=0.041332
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sh4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc2c(c1)OCO2)nc([nH]3)SCc4nc(c(c(c4C)C)OC)C, micromolar IC50=0.631687
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.22 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Krasso, A., Rudolph, M.G.
PDB entry 5sh5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12ccccc1c(c(c(n2)N)C#N)OC3CCCCC3, micromolar IC50=0.465258
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Riemer, C., Rudolph, M.G.
PDB entry 5sh6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(cccc1)nc(n2C)CCN4CCOc3ccccc3C4=O, micromolar IC50=2.844764
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5sh7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH O=C(NC1COC1)c1cc2[nH]c(-c3ccccc3)nc2cc1NC(=O)c1cc(C2CC2)c[nH]c1=O, micromolar IC50=0.012286
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.66 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Bleicher, K., Rudolph, M.G.
PDB entry 5sh8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(cc(n1c2ccccc2)NC(c3c(ccc(n3)C)Nc4cncnc4)=O)C, micromolar IC50=0.007593
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Vieira, E., Rudolph, M.G.
PDB entry 5sh9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH N4(c1nn(c(n1)CCc3nn2c(cnc(C)c2n3)C)C)C[C@H](F)CC4, micromolar IC50=0.010653
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.06 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5sha: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(c1nc(nn1c(c2)C)CCc3nc(nn3C)N4C[C@@H](C(F)F)CC4)C, micromolar IC50=0.048101
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.24 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5shb: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1ccncc1)C=CC2=O)c3ccnn3c4cccc(c4)Br, micromolar IC50=0.017329
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.95 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5shc: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1ncncc1NC(C4=CC=CN(CCc2c(oc(n2)c3ccccc3)C)C4=O)=O, micromolar IC50=1.1253625
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.33 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5shd: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(ccc(n1)C2CC2)Nc3cncnc3)C(Nc4c(ccnc4)C(=O)NC)=O, micromolar IC50=0.01369
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.6 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5she: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(c(nc2c1cc(cc2)N)C)C, micromolar IC50=15.581033
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.19 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Kumagai, Y., Rudolph, M.G.
PDB entry 5shf: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(C)nc(c(c1)C)C(=O)Nc4cn2c(cc(n2)c3ccccc3)cc4, micromolar IC50=0.052936
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.28 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5shg: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc2c(cc1)nc(c3c(nc(n23)c4ccccc4Cl)C)N)OC, micromolar IC50=0.001022
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.12 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5shh: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c4c(ccc1[nH]c(n2)SCc3ncc(c(c3C)OC)C)ncs4, micromolar IC50=0.062527
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.15 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Krasso, A., Rudolph, M.G.
PDB entry 5shi: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ccc(c2nc(c(n12)C)C)CCc3nc(cn3C)c4ccccc4)C, micromolar IC50=0.954878
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5shj: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(N1CCC1)(=O)c2c(n(C)nc2)C(Nc3cccc(c3)C(Nc4ccccc4)=O)=O, micromolar IC50=0.016507
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5shk: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(ncc(c2cccnc12)c3cccnc3)Nc4cccc(n4)C, micromolar IC50=0.911105
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Jaeschke, G., Rudolph, M.G.
PDB entry 5shl: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cc(nn2c1nc(c2C)C)Cl)N3CCCC3, micromolar IC50=1.188091
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.35 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5shm: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH [C@@H]1(CN(CC1)c2ccc(Cl)cn2)NC(c3c(ncc(n3)C4CC4)OC)=O, micromolar IC50=0.086748
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.26 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5shn: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(c(cnn1C)C(NCc2ncco2)=O)C(Nc4nc3nc(cn3cc4)c5ccccc5)=O, micromolar IC50=0.016936
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sho: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(NC1CC1)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000960
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5shp: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(ccc2c1nccc2)[nH]c(n3)SCc4ncc(c(c4C)OC)C, micromolar IC50=0.046043
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.18 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Krasso, A., Rudolph, M.G.
PDB entry 5shq: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(ncnc1[nH]cc2)N3CCCC3, micromolar IC50=>10
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.08 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5shr: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1(c(nc(n1)c2ccccc2)N(C)Cc4nn3c(cnc(c3n4)C)C)C, micromolar IC50=1.47052
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5shs: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c34c(n(Cc1cccc2c1cccc2)nn3)ncnc4N5CCCCC5, micromolar IC50=0.183
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sht: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(n1nc(nc1c(c2C)Cl)CCc3nc(nn3C)N4CCCC4)C, micromolar IC50=0.00941
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.27 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Lerner, C., Rudolph, M.G.
PDB entry 5shu: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c13c(cc2c(c1)CCN2)[nH]c(n3)SCc4ncc(c(c4C)OC)C, micromolar IC50=0.2659405
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Krasso, A., Rudolph, M.G.
PDB entry 5shv: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(F)cccc1N2CCC(=O)CC2, micromolar IC50=117.769376
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.95 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5shw: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2(cc1nc(nn1cc2)c3ccccc3)CO, micromolar IC50=1.751269
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.19 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5shx: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc2c(nc1C)cccc2)N3CCCC3, micromolar IC50=9.069546
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.16 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Canesso, R., Rudolph, M.G.
PDB entry 5shy: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n1c(scc1Nc2ncc(c3ccc(nc23)CO)c4cccnc4)C, micromolar IC50=0.297
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.3 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Schnider, P., Rudolph, M.G.
PDB entry 5shz: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C2(=NN(c1ccccc1)C=CC2=O)c3ccnn3c4cccc(c4)C#C, micromolar IC50=0.004957
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.55 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Koerner, M., Rudolph, M.G.
PDB entry 5si0: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n4c(n1c(nc(n1)CCc2nn(c(n2)N3CCCC3)C)cc4C)CCc5nn(c(n5)N6CCCC6)C, micromolar IC50=0.047938
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.27 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Lerner, C., Rudolph, M.G.
PDB entry 5si1: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(N1CCOCC1)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000072
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.75 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5si2: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(nc(ccc1Nc2cncnc2)C3CC3)C(N[C@H]4CN(CC4)c5ccccn5)=O, micromolar IC50=0.007466
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.4 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5si3: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2nc1nc(cn1cc2)c3ccccc3)=O)n(nc4)C)C(N5CC(C5)O)=O, micromolar IC50=0.03203425
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.4 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5si4: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3c4c(ccc3)cccc4)c5cc(ccc5)OC(F)(F)F, micromolar IC50=0.002773
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.39 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rogers-Evans, M., Rudolph, M.G.
PDB entry 5si5: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1c(nc2c(c1)nc(N[S](C)(=O)=O)c3c(nc(n23)CCC)C)OC, micromolar IC50=0.039264
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.27 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rudolph, M.G.
PDB entry 5si6: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c4(c(C(Nc2cc1nc(cn1cc2C#N)c3ccccc3)=O)n(C)nc4)C(=O)N5CCC5, micromolar IC50=0.025368
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5si7: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c3c(ccc1C(C)(C)C(NC2=O)=O)nc([nH]3)Cc4ccccc4, micromolar IC50=0.22164
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Boehringer, M., Rudolph, M.G.
PDB entry 5si8: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cn(nc1C(=O)Nc3cc2nc(cn2cc3C#N)c4ccccc4)C)C(=O)N5CCOCC5, micromolar IC50=0.060125
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5si9: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12nc(cn1ccc(n2)NC(c3c(cnn3C)C(NCCO)=O)=O)c4ccccc4, micromolar IC50=0.054287
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.01 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sia: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n3c2cc(NC(Nc1cc(ccc1)OC)=O)ccc2nc(c3C)C, micromolar IC50=1.295
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.27 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sib: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1cc(nn2c1nc(c2C)C(F)(F)F)CCc3nc(nn3C)N4CCCC4, micromolar IC50=0.012425
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.54 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sic: MOLECULAR RECOGNITION AT THE ACTIVE SITE OF SUBTILISIN BPN': CRYSTALLOGRAPHIC STUDIES USING GENETICALLY ENGINEERED PROTEINACEOUS INHIBITOR SSI (STREPTOMYCES SUBTILISIN INHIBITOR)
Classification: COMPLEX(PROTEINASE/INHIBITOR)
Source organism: Bacillus amyloliquefaciens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 1991-11-18
Authors: Mitsui, Y., Takeuchi, Y., Nakamura, K.T.
PDB entry 5sid: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c2c(Cl)c1nc(nn1c(c2Cl)C)CCc4nc3cc(ccc3s4)Cl, micromolar IC50=0.010696
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.98 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Lerner, C., Rudolph, M.G.
PDB entry 5sie: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12c(c(ccc1O)Cl)[nH]c3c2CN(C3=O)C, micromolar IC50=3.77279
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.12 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Boehringer, M., Rudolph, M.G.
PDB entry 5sif: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1=CN(N=C(C1=O)c2ccnn2c3cc(ccc3F)F)c4cc(ccc4)[S](=O)(=O)C, micromolar IC50=0.049318
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Rogers-Evans, M., Rudolph, M.G.
PDB entry 5sig: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C1(NC(=Nc2c1cccc2)CN(C(=O)Nc3ccccc3)Cc4ccc(OC)cc4)=O, micromolar IC50=0.024784
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.03 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sih: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH n2c(nc1[nH]cnc1c2Sc3cc(ccc3)C)N5CCN(c4ncccc4)CC5, micromolar IC50=0.042
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.9 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Brunner, M., Rudolph, M.G.
PDB entry 5sii: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c12cc(c(cc1[C@H](C(=NN=C2c3cc(c(cc3)OC)OC)C)CC)OC)OC, micromolar IC50=1.5247104
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.18 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Zeller, P., Rudolph, M.G.
PDB entry 5sij: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cnc(C)c2nc(nn12)CCc3nc(cn3C)c4ccccc4)C, micromolar IC50=0.00044725
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.55 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Groebke-Zbinden, K., Rudolph, M.G.
PDB entry 5sik: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c1(cnc(nc1)N)OCC2CCCC2, micromolar IC50=310.141421
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.1 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Boehringer, M., Rudolph, M.G.
PDB entry 5sil: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(Nc2ccc1[nH]c(nc1c2)c3cc(cc(c3)C)C)(=O)c4c(cnn4C)Cl, micromolar IC50=0.245656
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.5 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sim: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(N1CCCC1C)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000107
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 1.75 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sin: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH c14c(c(nn1c2ncccc2)C)cc(NC(=O)c3ccccc3)s4, micromolar IC50=0.104457
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.4 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.
PDB entry 5sio: CRYSTAL STRUCTURE OF HUMAN PHOSPHODIESTERASE 10 IN COMPLEX WITH C(=O)(N1CCCC1C)c5c(C(Nc3cc2nc(cn2cc3)c4ccccc4)=O)n(nc5)C, micromolar IC50=0.000107
Classification: HYDROLASE/HYDROLASE inhibitor
Source organism: Homo sapiens
Experimental method: X-RAY DIFFRACTION
Resolution: 2.2 Å
Deposited: 2022-02-01
Authors: Joseph, C., Benz, J., Flohr, A., Peters, J., Rudolph, M.G.