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Q9UNA0 | ATS5_HUMAN | A disintegrin and metalloproteinase with thrombospondin motifs 5 (ADAMTS5)

3D structures mapped by conservation among orthologs

[ Domain: "Metalloproteases ("zincins") catalytic domain" // Reprolysin ]

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[ Domain: "Disulfide-rich domain in A Disintegrin And Metalloprotease (ADAM) domain-containing proteins" // KOG3538_1st ]

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[ Alpha Fold Model ] (go)


Known binders annotated in ChEMBL

IC50 table Ki table

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL4066965 OBDepict H H 3 C NH O HN O N H O F F F IC50 = 1.0 nM 383.37 C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL3887658 single protein format
CHEMBL179552 OBDepict OH N H O H N S CH 3 CH 3 O O O Cl Cl H HO IC50 = 1.4 nM 503.4 CC1(C)C[C@@H](O)CN(S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL1768098 single protein format
CHEMBL3980860 OBDepict H N H O N H O N H O F F F IC50 = 2.0 nM 409.41 O=C1NC(=O)[C@](CNC(=O)[C@@H](Cc2ccc(C(F)(F)F)cc2)C2CC2)(C2CC2)N1 Homo sapiens CHEMBL3887658 single protein format
CHEMBL4072836 OBDepict H 3 C H NH O HN O N H O F F F IC50 = 2.0 nM 397.4 CC[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL3887658 single protein format
CHEMBL1766903 OBDepict Cl N H S S HN O O O HO H CH 3 H IC50 = 2.9 nM 460.96 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(Cl)ccc3c2s1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL4436740 OBDepict O NH HN O NH N N CH 3 O H 3 C O F F F IC50 = 3.0 nM 435.36 Cc1cnc([C@]2(CNC(=O)c3cc4cc(C(F)(F)F)ccc4o3)NC(=O)NC2=O)n1C Homo sapiens CHEMBL4425557 single protein format
CHEMBL3972836 OBDepict O HN H 3 C H 3 C F F F NH O N H O IC50 = 4.0 nM 397.4 CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL3887658 single protein format
CHEMBL4450729 OBDepict CH 3 N N N H HN O HN O O O F F F IC50 = 4.0 nM 435.36 CCn1ccnc1[C@]1(CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL4425557 single protein format
CHEMBL3358158 OBDepict O NH HN O NH N N CH 3 O O F F F IC50 = 4.0 nM 421.34 Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL3388951 single protein format
CHEMBL4102193 OBDepict O HN NH O N H O F F F IC50 = 5.0 nM 369.34 O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL4013265 single protein format
CHEMBL4097165 OBDepict O N H HN O NH O O F F F IC50 = 5.0 nM 381.31 O=C1NC(=O)[C@](CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)(C2CC2)N1 Homo sapiens CHEMBL4425557 single protein format
CHEMBL187092 OBDepict OH N H O H N S CH 3 OH O O O Cl F IC50 = 6.3 nM 472.92 C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3Cl)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL2167992 cell-based format
CHEMBL4587825 OBDepict O NH HN O NH N N CH 3 O H 3 C O Cl IC50 = 7.0 nM 401.81 Cc1cnc([C@]2(CNC(=O)c3cc4cc(Cl)ccc4o3)NC(=O)NC2=O)n1C Homo sapiens CHEMBL4425557 single protein format
CHEMBL1078281 OBDepict Cl N N S S HN O O O HO H CH 3 H IC50 = 7.4 nM 437.93 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(-n2cc(Cl)cn2)s1)C(=O)O Homo sapiens CHEMBL1106705 single protein format
CHEMBL3955404 OBDepict H N H O CH 3 H 3 C NH O HN O F F F IC50 = 8.0 nM 411.42 CC(C)[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL3887658 single protein format
CHEMBL4864283 OBDepict F N N N S NH O O O OH H 3 C CH 3 IC50 = 8.0 nM 458.52 CC1[C@@](NS(=O)(=O)N2CCc3c(nc4cc(F)ccn34)C2)(C(=O)O)[C@@]1(C)c1ccccc1 Homo sapiens CHEMBL4835255 single protein format
CHEMBL1766904 OBDepict F N H S S HN O O O HO H CH 3 H IC50 = 8.3 nM 444.51 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(F)ccc3c2s1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1767014 OBDepict F N N N S NH O O O OH H 3 C H CH 3 IC50 = 8.4 nM 458.52 C[C@H]1[C@@](NS(=O)(=O)N2CCc3c(nc4cc(F)ccn34)C2)(C(=O)O)[C@@]1(C)c1ccccc1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL1767011 OBDepict F N N N S NH O O O OH H CH 3 H IC50 = 8.6 nM 444.49 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(nn3cc(F)ccc23)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL3358156 OBDepict O NH HN O NH N N CH 3 O O Cl IC50 = 9.0 nM 387.78 Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL3388951 single protein format
CHEMBL4589438 OBDepict H 3 C N N N H NH O NH O O O Cl IC50 = 9.0 nM 401.81 CCn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL4425557 single protein format
CHEMBL1767015 OBDepict F N N N S NH O O O OH H 3 C H CH 3 IC50 = 10.0 nM 458.52 C[C@H]1[C@@](NS(=O)(=O)N2CCc3c(nn4cc(F)ccc34)C2)(C(=O)O)[C@@]1(C)c1ccccc1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL1078454 OBDepict Cl S S HN O O O OH CH 3 IC50 = 10.0 nM 447.97 C[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O Homo sapiens CHEMBL1106705 single protein format
CHEMBL1766905 OBDepict F N S H S HN O O O OH H CH 3 H IC50 = 10.0 nM 444.51 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3ccc(F)cc3c2s1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1784336 OBDepict O N HO S N N O O CH 3 F O IC50 = 11.0 nM 523.67 Cc1cc(F)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 Homo sapiens CHEMBL1787038 single protein format
CHEMBL24398 OBDepict OH N H O N H H H N H O H H HO HO IC50 = 12.0 nM 439.51 O=C(NO)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@H]1c2ccccc2C[C@H]1O Homo sapiens CHEMBL1768098 single protein format
CHEMBL4874034 OBDepict O NH N H O CH 3 H N O N H H 3 C F F IC50 = 12.0 nM 420.46 C[C@@H](C[C@@]1(C2CC2)NC(=O)NC1=O)C(=O)N1CCN(c2ccc(F)c(F)c2)[C@@H](C)C1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL1784337 OBDepict O N HO S N N O O CH 3 O IC50 = 13.0 nM 505.68 Cc1ccccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 Homo sapiens CHEMBL1787038 single protein format
CHEMBL4094455 OBDepict H H 3 C NH O HN O N H O F F F IC50 = 13.0 nM 383.37 C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL4013265 single protein format
CHEMBL1767013 OBDepict F N N N S NH O O O OH H 3 C H CH 3 IC50 = 14.0 nM 458.52 C[C@H]1[C@@](NS(=O)(=O)N2CCn3c(nc4cc(F)ccc43)C2)(C(=O)O)[C@@]1(C)c1ccccc1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL1766899 OBDepict H 3 C O N N S S HN O O O OH H CH 3 H IC50 = 17.0 nM 433.51 COc1cnn(-c2ccc(S(=O)(=O)N[C@@]3(C(=O)O)[C@H](C)[C@@H]3c3ccccc3)s2)c1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL1767010 OBDepict F N N N S NH O O O OH H CH 3 H IC50 = 17.0 nM 444.49 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(nc3cc(F)ccn23)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1767017 OBDepict OH O HN S CH 3 H CH 3 N O O N H CH 3 N O F F IC50 = 17.0 nM 484.53 C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@]2(C)c2ccccc2)CCN1c1cc(C(F)F)on1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL3358155 OBDepict O N H HN O N H N S O O Cl IC50 = 17.0 nM 390.81 O=C1NC(=O)[C@](CNC(=O)c2cc3cc(Cl)ccc3o2)(c2nccs2)N1 Homo sapiens CHEMBL3388951 single protein format
CHEMBL4846457 OBDepict OH N O CH 3 HN O NH N O Cl Cl IC50 = 18.0 nM 429.3 CC1(CC(CO)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O Homo sapiens CHEMBL4835172 single protein format
CHEMBL3358157 OBDepict O NH HN O NH N CH 3 N O O Cl IC50 = 19.0 nM 387.78 Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL3388951 single protein format
CHEMBL1766900 OBDepict H 3 C N N S S HN O O O OH H CH 3 H IC50 = 19.0 nM 417.51 Cc1cnn(-c2ccc(S(=O)(=O)N[C@@]3(C(=O)O)[C@H](C)[C@@H]3c3ccccc3)s2)c1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL4650334 OBDepict O N H HN O N O N H CH 3 F F IC50 = 19.0 nM 406.43 C[C@H]1CN(C(=O)CC[C@@]2(C3CC3)NC(=O)NC2=O)CCN1c1cc(F)cc(F)c1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL3358154 OBDepict O N H HN O N H N H 3 C O O Cl IC50 = 19.0 nM 398.81 Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL3388951 single protein format
CHEMBL1767005 OBDepict F N N N S NH O O O OH H CH 3 H IC50 = 20.0 nM 444.49 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(nc3cc(F)ccc32)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1784369 OBDepict O N HO S N N O O CH 3 Cl O IC50 = 20.0 nM 540.13 Cc1cc(Cl)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 Homo sapiens CHEMBL1787038 single protein format
CHEMBL1766921 OBDepict Cl N N N S NH O O O OH H CH 3 H IC50 = 21.0 nM 460.94 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(nc3cc(Cl)ccn23)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1078279 OBDepict Cl S S HN O O O HO H CH 3 H IC50 = 21.0 nM 447.97 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O Homo sapiens CHEMBL1106705 single protein format
CHEMBL3358153 OBDepict O N H N H O N H O O Cl IC50 = 22.0 nM 383.79 O=C1NC(=O)[C@](CNC(=O)c2cc3cc(Cl)ccc3o2)(c2ccccc2)N1 Homo sapiens CHEMBL3388951 single protein format
CHEMBL4856943 OBDepict CH 3 N O CH 3 N H O N H N O Cl Cl IC50 = 22.0 nM 413.31 CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL4868710 OBDepict H 3 C O N O H 3 C N H O N H N O Cl Cl IC50 = 22.0 nM 443.33 COCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL1615187 OBDepict O N OH CH 3 S N O O CH 3 N CH 3 O CH 3 H N N F IC50 = 23.0 nM 511.62 Cc1noc(C)c1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1 Homo sapiens CHEMBL1787038 single protein format
CHEMBL1766901 OBDepict Cl N N S S NH O O O OH H CH 3 H IC50 = 23.0 nM 461.95 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nc3cc(Cl)ccn3c2s1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1766916 OBDepict F F O N N H H 3 C N S HN O O O OH H CH 3 H IC50 = 27.0 nM 470.5 C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@@H]2c2ccccc2)CCN1c1cc(C(F)F)on1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL1766902 OBDepict Cl N N S S NH O O O OH H CH 3 H IC50 = 29.0 nM 461.95 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2nn3cc(Cl)ccc3c2s1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1767016 OBDepict N S N H H 3 C N S HN O O O OH CH 3 H CH 3 IC50 = 29.0 nM 474.61 C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@]2(C)c2ccccc2)CCN1c1ccc(C#N)s1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL4874226 OBDepict O N H N H O N N O N Cl Cl IC50 = 30.0 nM 462.34 O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)(c2ccccn2)N1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL2164094 OBDepict H 3 C N H N N HN N N H N N H N S H 3 C O O CH 3 IC50 = 30.0 nM 527.7 CCCNc1nc(NCc2cn(C)cn2)nc(N2CCC[C@@H]2CNS(=O)(=O)c2ccc(CCC)cc2)n1 Homo sapiens CHEMBL2167992 cell-based format
CHEMBL4853676 OBDepict H 3 C N H N N NH N N N N HN CH 3 S O O H 3 C IC50 = 30.0 nM 527.7 CCCNc1nc(NCc2nccn2C)nc(N2CCCC2CNS(=O)(=O)c2ccc(CCC)cc2)n1 Homo sapiens CHEMBL4835255 single protein format
CHEMBL1784363 OBDepict O N HO S O N O O CH 3 IC50 = 31.0 nM 424.56 Cc1ccccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1 Homo sapiens CHEMBL1787038 single protein format
CHEMBL4872817 OBDepict O N H N H O N N O N Cl IC50 = 32.0 nM 427.89 O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2cccnc2)N1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL1078280 OBDepict Cl N N S S HN O O O OH CH 3 IC50 = 32.0 nM 437.93 C[C@]1(c2ccccc2)C[C@@]1(NS(=O)(=O)c1ccc(-n2cc(Cl)cn2)s1)C(=O)O Homo sapiens CHEMBL1106705 single protein format
CHEMBL1766915 OBDepict N S N H H 3 C N S HN O O O OH H CH 3 H IC50 = 33.0 nM 460.58 C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@@H]2c2ccccc2)CCN1c1ccc(C#N)s1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL4854306 OBDepict O N N N H O NH O CH 3 Cl IC50 = 34.0 nM 404.9 Cc1ccc(Cl)cc1N1CCN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CC1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL4854866 OBDepict O N H HN O N O N H CH 3 Cl Cl IC50 = 34.0 nM 439.34 C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL2337698 OBDepict OH HN O NH S O O O Cl F IC50 = 35.0 nM 388.8 O=C(CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1)NO Homo sapiens CHEMBL2345605 cell-based format
CHEMBL4864100 OBDepict O N N N H O NH O Cl Cl IC50 = 36.0 nM 425.32 O=C1NC(=O)C(CCC(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)(C2CC2)N1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL1766908 OBDepict Cl N H H 3 C N S HN O O O OH H CH 3 H IC50 = 37.0 nM 463.99 C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@@H]2c2ccccc2)CCN1c1ccc(Cl)cc1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL1767012 OBDepict F N H N S NH O O O OH H CH 3 H IC50 = 38.0 nM 443.5 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c([nH]c3cc(F)ccc23)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1766919 OBDepict Cl N N S NH O O O OH H CH 3 H IC50 = 39.0 nM 459.96 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(cc3cc(Cl)ccc32)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL4859268 OBDepict OH O NH H N H O O CH 3 H 3 C F IC50 = 40.0 nM 476.55 CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL4835255 single protein format
CHEMBL4877087 OBDepict O N H NH O N O N Cl IC50 = 41.0 nM 390.87 O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(C2CC2)N1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL4859812 OBDepict O NH HN O CH 3 N O N H CH 3 Cl Cl IC50 = 43.0 nM 413.31 C[C@H]1CN(C(=O)CC[C@@]2(C)NC(=O)NC2=O)CCN1c1ccc(Cl)c(Cl)c1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL4863614 OBDepict O N H N H O N N O N H CH 3 Cl Cl IC50 = 46.0 nM 476.36 C[C@H]1CN(C(=O)CCC2(c3ccccn3)NC(=O)NC2=O)CCN1c1cc(Cl)cc(Cl)c1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL4876618 OBDepict O N H N H O N N O N H CH 3 Cl F IC50 = 47.0 nM 459.91 C[C@H]1CN(C(=O)CCC2(c3ccccn3)NC(=O)NC2=O)CCN1c1ccc(F)c(Cl)c1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL1766909 OBDepict Cl N H H 3 C N S HN O O O OH H CH 3 H IC50 = 47.0 nM 463.99 C[C@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@@H]2c2ccccc2)CCN1c1ccc(Cl)cc1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL4862188 OBDepict O N H N H O N N O N Cl F IC50 = 48.0 nM 445.88 O=C1NC(=O)C(CCC(=O)N2CCN(c3ccc(F)c(Cl)c3)CC2)(c2ccccn2)N1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL4856883 OBDepict O N H NH O N O N H H 3 C Cl IC50 = 52.0 nM 404.9 C[C@H]1CN(C(=O)CCC2(C3CC3)NC(=O)NC2=O)CCN1c1cccc(Cl)c1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL4877662 OBDepict H 3 C CH 3 N O H 3 C N H O N H N O Cl Cl IC50 = 55.0 nM 441.36 CC(C)C(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL1078167 OBDepict Cl S S HN O O O OH H IC50 = 60.0 nM 433.94 O=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)s2)C[C@@H]1c1ccccc1 Homo sapiens CHEMBL1106705 single protein format
CHEMBL1766920 OBDepict Cl N N N S NH O O O OH H CH 3 H IC50 = 60.0 nM 460.94 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(nc3cc(Cl)ccc32)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1784370 OBDepict O N OH S N N O O F F F F O IC50 = 61.0 nM 577.64 O=CN(O)C1(CS(=O)(=O)N2CCC(CCc3ccc(F)cc3C(F)(F)F)CC2)CCN(C(=O)C2CCC2)CC1 Homo sapiens CHEMBL1787038 single protein format
CHEMBL1766907 OBDepict Cl N S HN O O O HO H CH 3 H IC50 = 62.0 nM 446.96 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CC=C(c2ccc(Cl)cc2)CC1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1784358 OBDepict O N HO S O N O O CH 3 Cl IC50 = 65.0 nM 459.01 Cc1cc(Cl)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1 Homo sapiens CHEMBL1787038 single protein format
CHEMBL1767003 OBDepict Cl N N N S NH O O O OH H CH 3 H IC50 = 66.0 nM 446.92 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1Cc2nc3cc(Cl)ccn3c2C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1766918 OBDepict H 3 C O O N N H CH 3 N S HN O O O OH H CH 3 H IC50 = 67.0 nM 464.54 COCc1cc(N2CCN(S(=O)(=O)N[C@@]3(C(=O)O)[C@H](C)[C@@H]3c3ccccc3)C[C@H]2C)no1 Homo sapiens CHEMBL1768098 single protein format
CHEMBL1784339 OBDepict O N HO S O N O O CH 3 F IC50 = 69.0 nM 442.55 Cc1cc(F)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1 Homo sapiens CHEMBL1787038 single protein format
CHEMBL4846698 OBDepict O N H N H O N O N Cl IC50 = 71.0 nM 426.9 O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(c2ccccc2)N1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL474069 OBDepict H 3 C O O N N S O O Cl O OH H IC50 = 78.0 nM 579.07 COc1cccn(CCN([C@]2(C(=O)O)C[C@H]2c2ccccc2)S(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)c1=O Homo sapiens CHEMBL961643 single protein format
CHEMBL1784371 OBDepict O N HO S N N O O CH 3 F F F O IC50 = 79.0 nM 573.68 Cc1cc(C(F)(F)F)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 Homo sapiens CHEMBL1787038 single protein format
CHEMBL1077893 OBDepict Cl N N S S HN O O O OH H IC50 = 80.0 nM 423.9 O=C(O)[C@]1(NS(=O)(=O)c2ccc(-n3cc(Cl)cn3)s2)C[C@@H]1c1ccccc1 Homo sapiens CHEMBL1106705 single protein format
CHEMBL4850150 OBDepict O HN N H O N O N CH 3 IC50 = 84.0 nM 406.49 Cc1ccccc1N1CCN(C(=O)CC[C@@]2(c3ccccc3)NC(=O)NC2=O)CC1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL1079173 OBDepict Cl S HN O O O OH H IC50 = 84.0 nM 427.91 O=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1c1ccccc1 Homo sapiens CHEMBL1106705 single protein format
CHEMBL1766906 OBDepict Cl N N S HN O O O HO H CH 3 H IC50 = 87.0 nM 449.96 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN(c2ccc(Cl)cc2)CC1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1767004 OBDepict OH O N H S H H CH 3 N O O N N IC50 = 92.0 nM 426.5 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(nc3ccccc32)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1078168 OBDepict Cl S S HN O O O OH H IC50 = 94.0 nM 433.94 O=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3cccc(Cl)c3)s2)C[C@@H]1c1ccccc1 Homo sapiens CHEMBL1106705 single protein format
CHEMBL208009 OBDepict HO NH O N H N H O O CH 3 N Ki = 97.0 nM 448.52 Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCNCC3)cc2)c2ccccc2n1 Homo sapiens CHEMBL853112 single protein format
CHEMBL1767006 OBDepict F N N N S HN O O O HO H CH 3 H IC50 = 100.0 nM 444.49 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(nc3ccc(F)cc32)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1077892 OBDepict Cl N S S HN O O O OH H IC50 = 100.0 nM 434.93 O=C(O)[C@]1(NS(=O)(=O)c2ccc(-c3ccc(Cl)cn3)s2)C[C@@H]1c1ccccc1 Homo sapiens CHEMBL1106705 single protein format
CHEMBL4856230 OBDepict O N N H O HN O IC50 = 109.0 nM 355.44 O=C1NC(=O)C(CCC(=O)N2CCC(c3ccccc3)CC2)(C2CC2)N1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL1766922 OBDepict Cl S N N S HN O O O HO H CH 3 H IC50 = 110.0 nM 465.98 C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCn2c(cc3cc(Cl)sc32)C1)C(=O)O Homo sapiens CHEMBL1768098 single protein format
CHEMBL1077579 OBDepict Cl S S HN O O O HO H CH 3 H IC50 = 120.0 nM 447.97 C[C@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(-c2ccc(Cl)cc2)s1)C(=O)O Homo sapiens CHEMBL1106705 single protein format
CHEMBL4849855 OBDepict O NH N H O H 3 C CH 3 N O N Cl IC50 = 123.0 nM 392.89 CC(C)C1(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)NC(=O)NC1=O Homo sapiens CHEMBL4835172 single protein format
CHEMBL4872381 OBDepict O N N H O NH O Cl Cl IC50 = 124.0 nM 424.33 O=C1NC(=O)C(CCC(=O)N2CCC(c3cc(Cl)cc(Cl)c3)CC2)(C2CC2)N1 Homo sapiens CHEMBL4835172 single protein format
CHEMBL1766917 OBDepict OH O HN S H CH 3 H N O O N H CH 3 N O F F H 3 C IC50 = 130.0 nM 484.53 C[C@@H]1CN(S(=O)(=O)N[C@@]2(C(=O)O)[C@H](C)[C@@H]2c2ccccc2)CCN1c1cc(C(C)(F)F)on1 Homo sapiens CHEMBL1768098 single protein format