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O75173 | ATS4_HUMAN | A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS4)

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

molecule_chembl_id structure assay_type relation values units mol_wt smiles organism assay_chembl_id bao_label
CHEMBL1683454 OBDepict O N OH H 3 C S CH 3 H N O O H 3 C F N N F IC50 = 0.18 nM 524.63 Cc1cc(F)ccc1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683460 OBDepict O N OH CH 3 S N O O CH 3 N CH 3 S CH 3 H N N F IC50 = 0.26 nM 527.69 Cc1nsc(C)c1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683450 OBDepict O N OH H 3 C S CH 3 H N O O H 3 C Cl N N F IC50 = 0.36 nM 541.09 Cc1cc(Cl)ccc1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683458 OBDepict O N OH CH 3 S CH 3 H N O O H 3 C CH 3 N N N F IC50 = 0.43 nM 521.66 Cc1cc(CCC2CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(F)cn3)N(O)C=O)CC2)c(C)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683451 OBDepict O N OH CH 3 S H 3 C H N O O Br F N N F IC50 = 0.48 nM 589.5 C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2Br)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683457 OBDepict O N OH CH 3 S CH 3 H N O O H 3 C CH 3 N N F IC50 = 0.48 nM 520.67 Cc1ccc(C)c(CCC2CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(F)cn3)N(O)C=O)CC2)c1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683449 OBDepict O N OH CH 3 S H 3 C H N O O Cl F F F N N F IC50 = 0.48 nM 595.06 C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(C(F)(F)F)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683455 OBDepict O N OH H 3 C S CH 3 H N O O H 3 C F F F N N F IC50 = 0.49 nM 574.64 Cc1cc(C(F)(F)F)ccc1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683453 OBDepict O N OH CH 3 S H 3 C H N O O F F F F N N F IC50 = 0.52 nM 578.6 C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(F)cc2C(F)(F)F)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683461 OBDepict O N OH H 3 C S CH 3 H N O O N H 3 C CH 3 N N F IC50 = 0.68 nM 521.66 Cc1cc(C)c(CCC2CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(F)cn3)N(O)C=O)CC2)cn1 Homo sapiens CHEMBL1686369 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 = 0.69 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 CHEMBL1686369 single protein format
CHEMBL1683444 OBDepict O N OH H S H 3 C H N O O O Cl Cl N N F IC50 = 1.0 nM 549.45 C[C@@H](C[C@@H](CS(=O)(=O)N1CCC(OCc2ccc(Cl)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683447 OBDepict O N OH CH 3 S H 3 C H N O O Cl Cl N N F IC50 = 1.1 nM 561.51 C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ccc(Cl)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL179552 OBDepict OH N H O H N S CH 3 CH 3 O O O Cl Cl H HO IC50 = 1.1 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 CHEMBL1768099 single protein format
CHEMBL1784369 OBDepict O N HO S N N O O CH 3 Cl O IC50 = 1.2 nM 540.13 Cc1cc(Cl)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784371 OBDepict O N HO S N N O O CH 3 F F F O IC50 = 1.2 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 CHEMBL1787037 single protein format
CHEMBL1683443 OBDepict O N OH H S H 3 C H N O O N F N N F IC50 = 1.4 nM 469.51 C[C@@H](C[C@@H](CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1784359 OBDepict O N OH S O N O O S O O CH 3 IC50 = 1.4 nM 528.69 CS(=O)(=O)c1ccc(CCC2CCN(S(=O)(=O)CC3(N(O)C=O)CCOCC3)CC2)c(C2CC2)c1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784336 OBDepict O N HO S N N O O CH 3 F O IC50 = 1.9 nM 523.67 Cc1cc(F)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1683459 OBDepict O N OH CH 3 S CH 3 H N O O H 3 C N CH 3 N N F IC50 = 1.9 nM 521.66 Cc1cnc(C)c(CCC2CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(F)cn3)N(O)C=O)CC2)c1 Homo sapiens CHEMBL1686369 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 CHEMBL3887657 single protein format
CHEMBL4066965 OBDepict H H 3 C NH O HN O N H O F F F IC50 = 2.0 nM 383.37 C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL3887657 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 CHEMBL3887657 single protein format
CHEMBL1683463 OBDepict O N OH H 3 C S CH 3 H N O O N H 3 C F F F N N F IC50 = 2.1 nM 575.63 Cc1cc(C(F)(F)F)cnc1CCC1CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c2ncc(F)cn2)N(O)C=O)CC1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1784358 OBDepict O N HO S O N O O CH 3 Cl IC50 = 2.7 nM 459.01 Cc1cc(Cl)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1683452 OBDepict O N OH CH 3 S N O O Cl F CH 3 H N N F IC50 = 2.8 nM 545.05 C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2cc(F)ccc2Cl)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL187092 OBDepict OH N H O H N S CH 3 OH O O O Cl F IC50 = 3.0 nM 472.92 C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccc(F)cc3Cl)cc2)[C@H]1C(=O)NO Homo sapiens CHEMBL2167993 single protein format
CHEMBL24398 OBDepict OH N H O N H H H N H O H H HO HO IC50 = 3.0 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 CHEMBL1768099 single protein format
CHEMBL1615186 OBDepict O N OH CH 3 S H 3 C H N O O O Cl Cl N N F IC50 = 3.5 nM 563.48 C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(OCc2ccc(Cl)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1683446 OBDepict O N OH CH 3 S H 3 C H N O O N Cl Cl N N F IC50 = 3.8 nM 562.5 C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(CCc2ccc(Cl)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1078281 OBDepict Cl N N S S HN O O O HO H CH 3 H IC50 = 4.0 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 CHEMBL1768099 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 CHEMBL3388950 single protein format
CHEMBL4102193 OBDepict O HN NH O N H O F F F IC50 = 4.0 nM 369.34 O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL4013264 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 CHEMBL4425556 single protein format
CHEMBL4436740 OBDepict O NH HN O NH N N CH 3 O H 3 C O F F F IC50 = 4.0 nM 435.36 Cc1cnc([C@]2(CNC(=O)c3cc4cc(C(F)(F)F)ccc4o3)NC(=O)NC2=O)n1C Homo sapiens CHEMBL4425556 single protein format
CHEMBL1784337 OBDepict O N HO S N N O O CH 3 O IC50 = 4.1 nM 505.68 Cc1ccccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1683462 OBDepict O N OH CH 3 S H 3 C H N O O N Cl F F F N N F IC50 = 4.2 nM 596.05 C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2ncc(C(F)(F)F)cc2Cl)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1784339 OBDepict O N HO S O N O O CH 3 F IC50 = 4.5 nM 442.55 Cc1cc(F)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL3358156 OBDepict O NH HN O NH N N CH 3 O O Cl IC50 = 5.0 nM 387.78 Cn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL3388950 single protein format
CHEMBL1683465 OBDepict O N OH CH 3 S CH 3 H N O O N CH 3 N H 3 C N N F IC50 = 5.4 nM 510.64 Cc1cc(CCC2CCN(S(=O)(=O)C[C@](C)(C[C@H](C)c3ncc(F)cn3)N(O)C=O)CC2)n(C)n1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL1784363 OBDepict O N HO S O N O O CH 3 IC50 = 5.6 nM 424.56 Cc1ccccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784360 OBDepict O N HO S O N O O CH 3 S O O CH 3 IC50 = 5.8 nM 502.66 Cc1cc(S(C)(=O)=O)ccc1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL4097165 OBDepict O N H HN O NH O O F F F IC50 = 6.0 nM 381.31 O=C1NC(=O)[C@](CNC(=O)c2cc3cc(C(F)(F)F)ccc3o2)(C2CC2)N1 Homo sapiens CHEMBL4425556 single protein format
CHEMBL4587825 OBDepict O NH HN O NH N N CH 3 O H 3 C O Cl IC50 = 6.0 nM 401.81 Cc1cnc([C@]2(CNC(=O)c3cc4cc(Cl)ccc4o3)NC(=O)NC2=O)n1C Homo sapiens CHEMBL4425556 single protein format
CHEMBL3972836 OBDepict O HN H 3 C H 3 C F F F NH O N H O IC50 = 7.0 nM 397.4 CC(C)(Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL3887657 single protein format
CHEMBL1683445 OBDepict O N OH CH 3 S H 3 C H N O O N F N N F IC50 = 7.3 nM 483.54 C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O)c1ncc(F)cn1 Homo sapiens CHEMBL1686369 single protein format
CHEMBL3358155 OBDepict O N H HN O N H N S O O Cl IC50 = 8.0 nM 390.81 O=C1NC(=O)[C@](CNC(=O)c2cc3cc(Cl)ccc3o2)(c2nccs2)N1 Homo sapiens CHEMBL3388950 single protein format
CHEMBL3622492 OBDepict CH 3 N O CH 3 N H N N NH N N N H 3 C CH 3 IC50 = 8.0 nM 564.74 CCN(C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(N3CCc4ccccc4C3)n2)cc1)c1cccc(C)c1 Homo sapiens CHEMBL3624059 single protein format
CHEMBL4589438 OBDepict H 3 C N N N H NH O NH O O O Cl IC50 = 8.0 nM 401.81 CCn1ccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL4425556 single protein format
CHEMBL366111 OBDepict OH N H O OH O H S O O O Cl Cl IC50 = 8.1 nM 476.33 O=C(NO)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Homo sapiens CHEMBL827805 single protein format
CHEMBL1784370 OBDepict O N OH S N N O O F F F F O IC50 = 8.7 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 CHEMBL1787037 single protein format
CHEMBL1784350 OBDepict O N HO S O CH 3 CH 3 N O O CH 3 N CH 3 O IC50 = 9.7 nM 457.59 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOC(C)(C)C2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784345 OBDepict O N HO S N N O O CH 3 N CH 3 O O IC50 = 10.0 nM 510.66 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)C3CCC3)CC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784341 OBDepict O N HO S N N O O CH 3 N CH 3 O N O IC50 = 11.0 nM 511.65 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C(=O)N3CCC3)CC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL3358153 OBDepict O N H N H O N H O O Cl IC50 = 12.0 nM 383.79 O=C1NC(=O)[C@](CNC(=O)c2cc3cc(Cl)ccc3o2)(c2ccccc2)N1 Homo sapiens CHEMBL3388950 single protein format
CHEMBL4094455 OBDepict H H 3 C NH O HN O N H O F F F IC50 = 12.0 nM 383.37 C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@]1(C2CC2)NC(=O)NC1=O Homo sapiens CHEMBL4013264 single protein format
CHEMBL4868710 OBDepict H 3 C O N O H 3 C N H O N H N O Cl Cl IC50 = 12.0 nM 443.33 COCC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL4835175 single protein format
CHEMBL1784366 OBDepict O N HO S O N O O CH 3 N CH 3 S IC50 = 13.0 nM 445.61 Cc1nsc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL3955404 OBDepict H N H O CH 3 H 3 C NH O HN O F F F IC50 = 14.0 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 CHEMBL3887657 single protein format
CHEMBL4856943 OBDepict CH 3 N O CH 3 N H O N H N O Cl Cl IC50 = 15.0 nM 413.31 CC(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL4835175 single protein format
CHEMBL1784347 OBDepict O N HO S S N O O CH 3 N CH 3 O O O IC50 = 16.0 nM 477.61 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCS(=O)(=O)CC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL3358154 OBDepict O N H HN O N H N H 3 C O O Cl IC50 = 17.0 nM 398.81 Cc1cccnc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL3388950 single protein format
CHEMBL1784338 OBDepict O N HO S O N O O CH 3 H 3 C N IC50 = 18.0 nM 439.58 Cc1cc(CCC2CCN(S(=O)(=O)CC3(N(O)C=O)CCOCC3)CC2)c(C)cn1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL4874034 OBDepict O NH N H O CH 3 H N O N H H 3 C F F IC50 = 18.0 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 CHEMBL4835175 single protein format
CHEMBL1784351 OBDepict O N HO S N N O O CH 3 N CH 3 O H 3 C IC50 = 19.0 nM 442.58 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(C)CC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784353 OBDepict O N HO S N O O CH 3 N CH 3 O IC50 = 20.0 nM 427.57 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCCCC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784346 OBDepict O N HO S N O O CH 3 N CH 3 O F F IC50 = 20.0 nM 463.55 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCC(F)(F)CC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784357 OBDepict O N HO S O N O O N F IC50 = 21.0 nM 401.46 O=CN(O)C1(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CCOCC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL3358157 OBDepict O NH HN O NH N CH 3 N O O Cl IC50 = 22.0 nM 387.78 Cn1nccc1[C@]1(CNC(=O)c2cc3cc(Cl)ccc3o2)NC(=O)NC1=O Homo sapiens CHEMBL3388950 single protein format
CHEMBL3622482 OBDepict CH 3 O O CH 3 N N N N H N OH N O CH 3 H 3 C IC50 = 22.0 nM 554.65 CCN(C(=O)c1ccc(CNc2nc(O)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 Homo sapiens CHEMBL3624059 single protein format
CHEMBL3622490 OBDepict CH 3 N O CH 3 N H N N N N O O H 3 C H 3 C IC50 = 23.0 nM 538.65 CCN(C(=O)c1ccc(CNc2ncnc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 Homo sapiens CHEMBL3624059 single protein format
CHEMBL4864283 OBDepict F N N N S NH O O O OH H 3 C CH 3 IC50 = 23.0 nM 458.52 CC1[C@@](NS(=O)(=O)N2CCc3c(nc4cc(F)ccn34)C2)(C(=O)O)[C@@]1(C)c1ccccc1 Homo sapiens CHEMBL4835256 single protein format
CHEMBL1767014 OBDepict F N N N S NH O O O OH H 3 C H CH 3 IC50 = 23.0 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 CHEMBL1768099 single protein format
CHEMBL1784348 OBDepict O N HO S N N O O CH 3 N CH 3 O O CH 3 IC50 = 24.0 nM 470.59 CC(=O)N1CCC(CS(=O)(=O)N2CCC(CCc3c(C)noc3C)CC2)(N(O)C=O)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL4877087 OBDepict O N H NH O N O N Cl IC50 = 25.0 nM 390.87 O=C1NC(=O)C(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)(C2CC2)N1 Homo sapiens CHEMBL4835175 single protein format
CHEMBL182880 OBDepict HO N H O OH O H S O O O H 3 C CH 3 IC50 = 26.0 nM 435.5 Cc1ccc(C)c(COc2ccc(S(=O)(=O)[C@@H]3CCOC[C@]3(O)C(=O)NO)cc2)c1 Homo sapiens CHEMBL827805 single protein format
CHEMBL1784340 OBDepict O N HO S O N O O CH 3 N CH 3 O IC50 = 26.0 nM 429.54 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCOCC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784342 OBDepict O N HO S N N O O CH 3 N CH 3 O S O O H 3 C IC50 = 29.0 nM 506.65 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCN(S(C)(=O)=O)CC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL4846457 OBDepict OH N O CH 3 HN O NH N O Cl Cl IC50 = 30.0 nM 429.3 CC1(CC(CO)C(=O)N2CCN(c3cc(Cl)cc(Cl)c3)CC2)NC(=O)NC1=O Homo sapiens CHEMBL4835175 single protein format
CHEMBL3622481 OBDepict CH 3 HN N N N H N N O O H 3 C N O H 3 C CH 3 H 3 C IC50 = 30.0 nM 567.69 CCN(C(=O)c1ccc(CNc2nc(NC)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 Homo sapiens CHEMBL3624059 single protein format
CHEMBL4859268 OBDepict OH O NH H N H O O CH 3 H 3 C F IC50 < 30.0 nM 476.55 CC(C)(Cc1ccc(F)cc1)NC(=O)[C@H](CCC(=O)O)NC(=O)c1ccc(-c2ccccc2)cc1 Homo sapiens CHEMBL4835256 single protein format
CHEMBL184064 OBDepict OH N H O OH O H S O O O Cl IC50 = 40.0 nM 441.89 O=C(NO)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccccc2Cl)cc1 Homo sapiens CHEMBL827805 single protein format
CHEMBL3622507 OBDepict CH 3 N CH 3 O N H N N NH N N N H 3 C CH 3 IC50 = 43.0 nM 488.64 CCN(C)C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(N3CCc4ccccc4C3)n2)cc1 Homo sapiens CHEMBL3624059 single protein format
CHEMBL1784344 OBDepict O N OH S N O O CH 3 N CH 3 O IC50 = 48.0 nM 441.59 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCCCCC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784343 OBDepict O N HO S N O O CH 3 N CH 3 O IC50 = 51.0 nM 399.51 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCC2)CC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784352 OBDepict O N OH S N O O H 3 C N H 3 C O IC50 = 52.0 nM 413.54 Cc1noc(C)c1CCC1CCN(S(=O)(=O)CC2(N(O)C=O)CCCC2)CC1 Homo sapiens CHEMBL1787037 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 = 54.0 nM 441.36 CC(C)C(CC1(C)NC(=O)NC1=O)C(=O)N1CCN(c2cc(Cl)cc(Cl)c2)CC1 Homo sapiens CHEMBL4835175 single protein format
CHEMBL183935 OBDepict HO N H O OH O H S O O O H 3 C IC50 = 55.0 nM 421.47 Cc1ccccc1COc1ccc(S(=O)(=O)[C@@H]2CCOC[C@]2(O)C(=O)NO)cc1 Homo sapiens CHEMBL827805 single protein format
CHEMBL3622478 OBDepict CH 3 O O CH 3 N N N N H N NH CH 3 H 3 C N O H 3 C CH 3 IC50 = 60.0 nM 595.75 CCN(C(=O)c1ccc(CNc2nc(NC(C)C)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1)c1cccc(C)c1 Homo sapiens CHEMBL3624059 single protein format
CHEMBL3622488 OBDepict CH 3 N O H 3 C N H N N HN N N IC50 = 61.0 nM 583.74 CCN(C(=O)c1ccc(CNc2nc(NCc3ccccc3)nc(N3CCc4ccccc4C3)n2)cc1)c1cccc(C)c1 Homo sapiens CHEMBL3624059 single protein format
CHEMBL3622493 OBDepict CH 3 N O CH 3 N H N N N N IC50 = 63.0 nM 478.6 CCN(C(=O)c1ccc(CNc2ncnc(N3CCc4ccccc4C3)n2)cc1)c1cccc(C)c1 Homo sapiens CHEMBL3624059 single protein format
CHEMBL3358151 OBDepict O N H O CH 3 N H O N H O Cl IC50 = 74.0 nM 311.73 C[C@]1(CNC(=O)COc2ccc(Cl)cc2)NC(=O)NC1=O Homo sapiens CHEMBL3388950 single protein format
CHEMBL468722 OBDepict CH 3 CH 3 HN H O HO S O O O O F IC50 = 80.0 nM 561.63 CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)c4ccc(F)cc4)cc3)cc2)cc1)C(=O)O Homo sapiens CHEMBL980690 single protein format
CHEMBL2337698 OBDepict OH HN O NH S O O O Cl F IC50 = 80.0 nM 388.8 O=C(CNS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1)NO Homo sapiens CHEMBL2345607 cell-based format
CHEMBL3622504 OBDepict CH 3 N CH 3 O N H N N NH N N N H 3 C CH 3 O O H 3 C H 3 C IC50 = 81.0 nM 548.69 CCN(C)C(=O)c1ccc(CNc2nc(NCCN(C)C)nc(N3CCc4cc(OC)c(OC)cc4C3)n2)cc1 Homo sapiens CHEMBL3624059 single protein format
CHEMBL200225 OBDepict O O O H 3 C S NH O O H O HO CH 3 H 3 C IC50 = 86.0 nM 507.56 Cc1c(C(=O)Oc2ccc(-c3ccc(S(=O)(=O)N[C@@H](C(=O)O)C(C)C)cc3)cc2)oc2ccccc12 Homo sapiens CHEMBL859305 single protein format
CHEMBL360704 OBDepict OH N H O OH O H S O O O Cl Cl IC50 = 87.0 nM 476.33 O=C(NO)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2cc(Cl)ccc2Cl)cc1 Homo sapiens CHEMBL827805 single protein format
CHEMBL467891 OBDepict O O S HN O O H O OH CH 3 CH 3 IC50 = 90.0 nM 549.69 CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(COc3ccc(C(=O)C4CCCCC4)cc3)cc2)cc1)C(=O)O Homo sapiens CHEMBL980690 single protein format
CHEMBL1784355 OBDepict O N HO S N O O N F IC50 = 91.0 nM 371.43 O=CN(O)C1(CS(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)CCC1 Homo sapiens CHEMBL1787037 single protein format
CHEMBL1784354 OBDepict O N OH CH 3 CH 3 S N O O N F IC50 = 92.0 nM 359.42 CC(C)(CS(=O)(=O)N1CCN(c2ccc(F)cc2)CC1)N(O)C=O Homo sapiens CHEMBL1787037 single protein format