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P78536 | ADA17_HUMAN | Disintegrin and metalloproteinase domain-containing protein 17 (ADAM17)

3D structures mapped by conservation among orthologs

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

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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
CHEMBL391851 OBDepict O N H N H O O H 3 C N H O O H 3 C N IC50 = 0.026 nM 432.44 Cc1cc(COc2ccc(C(=O)NC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1 Homo sapiens CHEMBL1003624 single protein format
CHEMBL1288122 OBDepict CH 3 O O N N H O HN O N Ki = 0.06 nM 400.39 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C#N)c3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL148169 OBDepict OH HN O N H 3 C H O H 3 C O CH 3 N Ki = 0.06 nM 433.51 Cc1cc(COc2ccc([C@]3(C)CCN([C@H](C)C(=O)NO)C3=O)cc2)c2ccccc2n1 Homo sapiens CHEMBL1019003 single protein format
CHEMBL1288000 OBDepict H 3 C O O N N H O NH O N OH Ki = 0.07 nM 468.47 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(-c4ncccc4O)cc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL1630098 OBDepict HO NH O N H H 3 C CH 3 O NH 2 O CH 3 N IC50 = 0.1 nM 462.55 Cc1cc(COc2ccc([C@]3(N)CCN([C@@H](C(=O)NO)C(C)C)C3=O)cc2)c2ccccc2n1 Homo sapiens CHEMBL1640792 single protein format
CHEMBL4082554 OBDepict HO N H O H H H HN S H O O O H 3 C N IC50 = 0.1 nM 479.56 Cc1cc(COc2ccc(S(=O)(=O)N[C@H]3[C@@H](C(=O)NO)[C@@H]4C=C[C@H]3C4)cc2)c2ccccc2n1 Homo sapiens CHEMBL4024901 single protein format
CHEMBL1222942 OBDepict O N H N H O N O F N H Cl O Ki = 0.1 nM 466.86 O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3c[nH]c(=O)c(Cl)c3)cc2)N1 Homo sapiens CHEMBL1227970 single protein format
CHEMBL1288726 OBDepict H 3 C N N N OH F N H N O NH O O O H 3 C Ki = 0.1 nM 598.64 CCN1CCN(c2ccc(O)c(-c3ccc(C#C[C@]4(CN5Cc6ccc(OC)cc6C5=O)NC(=O)NC4=O)cc3F)n2)CC1 Homo sapiens CHEMBL1292818 single protein format
CHEMBL1288059 OBDepict CH 3 O O N N H O HN O F Ki = 0.13 nM 393.37 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3F)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL271235 OBDepict CH N H N H H HN O O HO O H 3 C N IC50 = 0.14 nM 458.52 C#CCN1C[C@@H](NC(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1 Homo sapiens CHEMBL1003624 single protein format
CHEMBL495569 OBDepict OH N H O H O H 2 N F O N N Ki = 0.14 nM 486.5 NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4cccnc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO Homo sapiens CHEMBL1001173 single protein format
CHEMBL1287998 OBDepict CH 3 O O N N H O HN O Ki = 0.14 nM 375.38 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccccc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL461220 OBDepict OH N H O H O H 2 N F O N Ki = 0.14 nM 485.52 NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO Homo sapiens CHEMBL1019003 single protein format
CHEMBL468778 OBDepict OH N H O H O H 2 N F O N N Ki = 0.15 nM 478.52 NC(=O)[C@@]1(Cc2ccc(OCc3cc(N4CCCC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO Homo sapiens CHEMBL1001173 single protein format
CHEMBL512117 OBDepict HO N H O H O H 2 N F O N N N CH 3 Ki = 0.15 nM 489.51 Cn1ccc(-c2cc(COc3ccc(C[C@]4(C(N)=O)C[C@@H]4C(=O)NO)cc3F)c3ccccc3n2)n1 Homo sapiens CHEMBL1001173 single protein format
CHEMBL1287939 OBDepict CH 3 N N N OH NH N O N H O O O CH 3 Ki = 0.16 nM 530.59 CCN1CCN(/C(=NO)c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)CC1 Homo sapiens CHEMBL1292818 single protein format
CHEMBL1287909 OBDepict HO N N H N O NH O O O CH 3 Ki = 0.16 nM 418.41 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(/C=N/O)cc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL1288241 OBDepict H 3 C O O N HN O N H O N H Ki = 0.17 nM 414.42 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]ccc4c3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL461221 OBDepict OH N H O H O H 2 N O N Ki = 0.18 nM 467.53 NC(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO Homo sapiens CHEMBL1019003 single protein format
CHEMBL1287969 OBDepict CH 3 N N N N OH NH N O N H O O O CH 3 Ki = 0.18 nM 531.57 CCN1CCN(/C(=NO)c2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cn2)CC1 Homo sapiens CHEMBL1292818 single protein format
CHEMBL1288267 OBDepict H 3 C O O N HN O N H O N H Ki = 0.19 nM 414.42 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4cc[nH]c4c3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL1222941 OBDepict O N H N H O N O F N H O Ki = 0.2 nM 432.41 O=C1NC(=O)[C@](CN2Cc3ccc(F)cc3C2=O)(c2ccc(-c3ccc(=O)[nH]c3)cc2)N1 Homo sapiens CHEMBL1227970 single protein format
CHEMBL4095412 OBDepict CH 3 O O N N H O HN O O OH N Ki = 0.2 nM 408.37 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(O)nccc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1779610 OBDepict O N H OH H OH H N O S N N F F F Ki = 0.2 nM 544.56 O=C(NCc1ccc(Cn2c(C(F)(F)F)nc3ccccc32)s1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1 Homo sapiens CHEMBL1781453 single protein format
CHEMBL1288029 OBDepict CH 3 O O N N H O HN O F Ki = 0.2 nM 393.37 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(F)c3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL4085232 OBDepict CH 3 O O N N H O N H O O N N N H Ki = 0.2 nM 458.43 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(-c5cn[nH]c5)nccc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL432079 OBDepict H 3 C N H O N H H O H H N H O H 3 C CH 3 OH CH 2 IC50 = 0.2 nM 389.5 C=CC[C@H](C(=O)NO)[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC Homo sapiens CHEMBL820592 tissue-based format
CHEMBL489100 OBDepict HO NH O N H O CH 3 H 3 C NH 2 O CH 3 N IC50 = 0.2 nM 476.58 Cc1cc(COc2ccc([C@]3(N)CCN([C@H](CC(C)C)C(=O)NO)C3=O)cc2)c2ccccc2n1 Homo sapiens CHEMBL1003624 single protein format
CHEMBL467747 OBDepict OH N H O H O H 2 N F O N N O Ki = 0.21 nM 494.52 NC(=O)[C@@]1(Cc2ccc(OCc3cc(N4CCOCC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO Homo sapiens CHEMBL1001173 single protein format
CHEMBL147956 OBDepict OH HN O O H H NH O CH 3 CH 3 H H 3 C CH 3 H 3 C N H O CH 3 N S H 3 C IC50 = 0.21 nM 506.67 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCCc1ccc2sc(C)nc2c1)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL1287999 OBDepict HO N N N H 3 C N H N O NH O O O H 3 C Ki = 0.22 nM 516.56 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(/C(=N/O)N4CCN(C)CC4)cc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL439983 OBDepict OH N H O N H H H N H O CH 3 CH 3 H N H 3 C H 3 C CH 3 N H O H 3 C IC50 = 0.23 nM 471.6 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1cccc2cccnc12)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL500112 OBDepict HO N H O H N O H HO O N Ki = 0.25 nM 537.62 O=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)N1CC[C@H](O)C1 Homo sapiens CHEMBL1001173 single protein format
CHEMBL1288028 OBDepict CH 3 O O N N H O HN O F Ki = 0.26 nM 393.37 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(F)cc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL1630106 OBDepict OH HN O O O H 3 C O N IC50 = 0.27 nM 492.62 Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1 Homo sapiens CHEMBL1640792 single protein format
CHEMBL524072 OBDepict HO N H O H N O H 3 C CH 3 O N Ki = 0.28 nM 495.58 CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)cc2)C[C@@H]1C(=O)NO Homo sapiens CHEMBL1001173 single protein format
CHEMBL1630091 OBDepict CH 3 N CH 3 O HN O OH O O CH 3 IC50 = 0.28 nM 466.58 CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(C)cc3oc2=O)C(=O)NO)cc1 Homo sapiens CHEMBL1640792 single protein format
CHEMBL1287881 OBDepict CH 3 N N NH N O N H O O O CH 3 Ki = 0.29 nM 501.59 CCN1CCN(Cc2ccc(C#C[C@]3(CN4Cc5ccc(OC)cc5C4=O)NC(=O)NC3=O)cc2)CC1 Homo sapiens CHEMBL1292818 single protein format
CHEMBL279078 OBDepict H 3 C NH O N H H O H H 3 C H N H O H 3 C CH 3 OH IC50 = 0.3 nM 417.55 CNC(=O)[C@H](Cc1cccc2c1CCCC2)NC(=O)[C@H](CC(C)C)[C@H](C)C(=O)NO Homo sapiens CHEMBL3049695 single protein format
CHEMBL1630100 OBDepict OH NH O O O CH 3 HO IC50 = 0.3 nM 367.4 Cc1ccc2oc(=O)c(CC(CCc3ccc(O)cc3)C(=O)NO)cc2c1 Homo sapiens CHEMBL1640792 single protein format
CHEMBL4089108 OBDepict H 3 C O O N N H O NH O O Ki = 0.3 nM 391.38 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ccccc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL506057 OBDepict HO H N O H N H O OH O N Ki = 0.3 nM 551.64 O=C(NO)[C@H]1C[C@]1(Cc1ccc(OCc2cc(-c3ccccc3)nc3ccccc23)cc1)C(=O)N1CCC[C@H]1CO Homo sapiens CHEMBL1001173 single protein format
CHEMBL357203 OBDepict HO NH O O H H HN O H 3 C CH 3 H Br CH 3 CH 3 H 3 C HN O CH 3 OH N N H 3 C IC50 = 0.33 nM 582.5 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cc2c(O)nc(C)nc2cc1Br)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL148373 OBDepict OH N H O O H H N H O CH 3 CH 3 H H 3 C H 3 C CH 3 N H O H 3 C IC50 = 0.33 nM 471.6 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2ccccc12)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL496309 OBDepict OH N H O H N O CH 3 CH 3 F O N Ki = 0.36 nM 513.57 CN(C)C(=O)[C@@]1(Cc2ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO Homo sapiens CHEMBL1001173 single protein format
CHEMBL443884 OBDepict HO NH O H N O H N O H 3 C CH 3 N Ki = 0.38 nM 564.69 CN(C)[C@@H]1CCN(C(=O)[C@@]2(Cc3ccc(OCc4cc(-c5ccccc5)nc5ccccc45)cc3)C[C@@H]2C(=O)NO)C1 Homo sapiens CHEMBL1001173 single protein format
CHEMBL4071465 OBDepict OH HN O OH H NH S O O O H 3 C N IC50 = 0.4 nM 471.54 Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@]3(O)C(=O)NO)cc2)c2ccccc2n1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL144188 OBDepict OH N H O O H H N H O CH 3 CH 3 H N H 3 C H 3 C CH 3 N H O H 3 C IC50 = 0.4 nM 472.59 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cccc2cccnc12)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL4074516 OBDepict H 3 C O F O N N H O NH O O N CH 3 Ki = 0.4 nM 424.39 COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4cnc(C)cc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL4060386 OBDepict H 3 C O O N N H O NH O O N CH 3 Ki = 0.4 nM 406.4 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(C)cc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1077203 OBDepict O N H HN O N O F Cl Ki = 0.4 nM 373.77 O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1 Homo sapiens CHEMBL1115912 single protein format
CHEMBL4079423 OBDepict H 3 C O O N HN O NH O O N N N Ki = 0.4 nM 458.43 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-n5cccn5)ccc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL4104084 OBDepict H 3 C O O N N H O NH O O N F F F Ki = 0.4 nM 460.37 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C(F)(F)F)nccc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1770630 OBDepict Cl CH 3 N O OH H HO H HN O CH 3 H N N Ki = 0.4 nM 497.0 C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@]1(C)c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 Homo sapiens CHEMBL1772062 single protein format
CHEMBL4088194 OBDepict CH 3 O O N NH O HN O O N N N N H N H Ki = 0.4 nM 556.58 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N(c5cn[nH]c5)C5CCNCC5)ccc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL4090901 OBDepict H 3 C O F O N HN O NH O O N N F O HN O Ki = 0.4 nM 526.41 COc1ccc2c(c1F)C(=O)N(C[C@@]1(c3cc4nc(N5CC(=O)NC5=O)c(F)cc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1738754 OBDepict H 3 C N H N S S H N O O CH 3 O OH H HO H N H O H 3 C H N N Ki = 0.4 nM 562.67 CNc1nc([C@H]2CCCN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(S(C)(=O)=O)s1 Homo sapiens CHEMBL1772062 single protein format
CHEMBL4065885 OBDepict H 3 C O O N N H O NH O O N NH 2 Ki = 0.4 nM 407.39 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cncc(N)c4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1288060 OBDepict H 3 C O N H N O HN O O O CH 3 Ki = 0.41 nM 405.41 COc1ccc(C#C[C@]2(CN3Cc4ccc(OC)cc4C3=O)NC(=O)NC2=O)cc1 Homo sapiens CHEMBL1292818 single protein format
CHEMBL144736 OBDepict HO NH O S H H NH O CH 3 CH 3 H Cl Cl CH 3 H 3 C CH 3 NH O H 3 C IC50 = 0.42 nM 492.47 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](Sc1cc(Cl)cc(Cl)c1)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL1288211 OBDepict CH 3 O O N N H O HN O O NH 2 Ki = 0.42 nM 432.44 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CC(N)=O)cc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL144229 OBDepict OH HN O O H H NH O CH 3 H 3 C H CH 3 CH 3 CH 3 NH O CH 3 N OH N CH 3 IC50 = 0.43 nM 503.6 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1ccc2nc(C)nc(O)c2c1)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL144101 OBDepict OH HN O O H H NH O CH 3 H 3 C H O N CH 3 H 3 C CH 3 NH O CH 3 H 3 C IC50 = 0.44 nM 502.61 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1cc2ccccc2n(C)c1=O)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL1630090 OBDepict CH 3 N CH 3 O HN O OH O O F IC50 = 0.46 nM 470.54 CCN(CC)CCOc1ccc(CCC(Cc2cc3ccc(F)cc3oc2=O)C(=O)NO)cc1 Homo sapiens CHEMBL1640792 single protein format
CHEMBL1287908 OBDepict H 3 C O O N HN O N H O N N H 3 C Ki = 0.47 nM 487.56 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(CC4CCN(C)CC4)nc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL4071782 OBDepict OH HN O CH 3 O H NH S O O O H 3 C N IC50 = 0.5 nM 485.56 Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCOC[C@]3(C)C(=O)NO)cc2)c2ccccc2n1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL4094122 OBDepict OH HN O H N H NH S O O O O O H 3 C N H 3 C H 3 C CH 3 IC50 = 0.5 nM 570.67 Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL1770631 OBDepict Cl H N O OH H HO H HN O CH 3 H N N Ki = 0.5 nM 480.95 C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CC=C[C@@H]1c1cccc(Cl)c1)c1ccc(-n2cccn2)cc1 Homo sapiens CHEMBL1772062 single protein format
CHEMBL4065068 OBDepict H 3 C O O N N H O NH O O N Ki = 0.5 nM 392.37 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4ncccc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1779609 OBDepict O N H OH H OH H N O S N H 3 C N Ki = 0.5 nM 490.59 Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)s1 Homo sapiens CHEMBL1781453 single protein format
CHEMBL1288212 OBDepict CH 3 O O N N H O HN O O CH 3 Ki = 0.5 nM 417.42 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(C)=O)cc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL4074978 OBDepict H 3 C O O N N H O NH O O H 3 C N CH 3 Ki = 0.5 nM 420.43 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4c(C)nc(C)cc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1090059 OBDepict O N H NH O N O F OH Ki = 0.5 nM 355.33 O=C1NC(=O)[C@](CN2Cc3cc(O)ccc3C2=O)(c2ccc(F)cc2)N1 Homo sapiens CHEMBL1115912 single protein format
CHEMBL1770829 OBDepict H 3 C N H S N H N N N O HO H H 2 N HO H NH O CH 3 H N N Ki = 0.5 nM 563.64 CCNc1nc([C@H]2c3cnc(N)nc3CN2C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)cs1 Homo sapiens CHEMBL1772062 single protein format
CHEMBL4087303 OBDepict CH 3 O O N N H O HN O O N NH 2 Ki = 0.5 nM 407.39 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(N)ccc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1223006 OBDepict O HN NH O N O F H 3 C N CH 3 O Ki = 0.5 nM 434.43 Cc1noc(C)c1-c1ccc([C@]2(CN3Cc4ccc(F)cc4C3=O)NC(=O)NC2=O)cc1 Homo sapiens CHEMBL1227970 single protein format
CHEMBL4103683 OBDepict H 3 C O O N HN O NH O O N N N H Ki = 0.5 nM 458.43 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4nc(-c5cn[nH]c5)ccc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL4088622 OBDepict H 3 C O O N N H O NH O O N CH 3 Ki = 0.5 nM 406.4 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cncc(C)c4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1222866 OBDepict H 3 C O O N N H O NH O N Ki = 0.5 nM 428.45 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccccn4)cc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1227970 single protein format
CHEMBL1223075 OBDepict H 3 C O O N N H O NH O N CH 3 Ki = 0.5 nM 442.48 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3ccc(-c4ccnc(C)c4)cc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1227970 single protein format
CHEMBL4066370 OBDepict H 3 C O O N N H O NH O O N F F F Ki = 0.5 nM 460.37 COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cc4cnc(C(F)(F)F)cc4o3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL4022531 single protein format
CHEMBL1288090 OBDepict CH 3 O O N N H O HN O H 3 C CH 3 Ki = 0.5 nM 417.47 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3cccc(C(C)C)c3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL1288268 OBDepict H 3 C O O N HN O N H O N H 3 C N Ki = 0.52 nM 429.44 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4cnn(C)c4c3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL1630089 OBDepict CH 3 N CH 3 O HN O OH O O CH 3 IC50 = 0.53 nM 466.58 CCN(CC)CCOc1ccc(CCC(Cc2cc3cc(C)ccc3oc2=O)C(=O)NO)cc1 Homo sapiens CHEMBL1640792 single protein format
CHEMBL43087 OBDepict CH 3 O S N O O H H OH N H O H HO H HO OH Ki = 0.53 nM 400.41 CC#CCOc1ccc(S(=O)(=O)N2C[C@@H](O)[C@@H](O)[C@H](O)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL805972 single protein format
CHEMBL1288296 OBDepict H 3 C O O N HN O N H O N N H H O Ki = 0.53 nM 431.41 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc4[nH]c(=O)[nH]c4c3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL144363 OBDepict OH HN O NH H H S N H O O O H 3 C CH 3 H CH 3 CH 3 H 3 C N H O CH 3 IC50 = 0.54 nM 496.63 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL467798 OBDepict HO NH O H N O H N O H 3 C CH 3 N Ki = 0.54 nM 564.69 CN(C)[C@H]1CCN(C(=O)[C@@]2(Cc3ccc(OCc4cc(-c5ccccc5)nc5ccccc45)cc3)C[C@@H]2C(=O)NO)C1 Homo sapiens CHEMBL1001173 single protein format
CHEMBL1288152 OBDepict CH 3 O O N N H O HN O O NH 2 Ki = 0.56 nM 418.41 COc1ccc2c(c1)C(=O)N(C[C@@]1(C#Cc3ccc(C(N)=O)cc3)NC(=O)NC1=O)C2 Homo sapiens CHEMBL1292818 single protein format
CHEMBL144001 OBDepict OH NH O NH H H HN O H 3 C CH 3 H H 3 C CH 3 H 3 C HN O CH 3 IC50 = 0.57 nM 470.61 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NCc1ccc2ccccc2c1)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL342100 OBDepict OH NH O HN H H S N H O O O N OH N H 3 C H 3 C H CH 3 CH 3 H 3 C N H O CH 3 IC50 = 0.57 nM 538.63 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](NS(=O)(=O)c1ccc2ncnc(O)c2c1)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format
CHEMBL288664 OBDepict CH 3 O S N O O H H O NH O H OH H O HO CH 3 H 3 C Ki = 0.57 nM 440.47 CC#CCOc1ccc(S(=O)(=O)N2C[C@H]3OC(C)(C)O[C@H]3[C@H](O)[C@@H]2C(=O)NO)cc1 Homo sapiens CHEMBL805972 single protein format
CHEMBL4097420 OBDepict HO NH O H H H HN S H O O O CH 3 N IC50 = 0.6 nM 481.57 Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3[C@H]4CC[C@H](C4)[C@@H]3C(=O)NO)cc2)c2ccccc2n1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL4078142 OBDepict OH HN O H H NH S O O O H 3 C N IC50 = 0.6 nM 455.54 Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL4082009 OBDepict OH HN O H H N S CH 3 O O O H 3 C N IC50 = 0.6 nM 469.56 Cc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL4105513 OBDepict OH N H O H N H N S S CH 3 O O CH 3 O O O H 3 C N IC50 = 0.6 nM 548.64 Cc1cc(COc2ccc(S(=O)(=O)N(C)[C@@H]3CN(S(C)(=O)=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL4096933 OBDepict OH HN O H N H NH S O O O O O H 3 C N H 3 C H 3 C H 3 C IC50 = 0.6 nM 556.64 Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL4102282 OBDepict OH HN O H N H HN S O CH 3 O O O H 3 C N IC50 = 0.6 nM 498.56 CC(=O)N1C[C@@H](NS(=O)(=O)c2ccc(OCc3cc(C)nc4ccccc34)cc2)[C@@H](C(=O)NO)C1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL4105634 OBDepict OH HN O H O H NH S O O O H 3 C N IC50 = 0.6 nM 457.51 Cc1cc(COc2ccc(S(=O)(=O)N[C@@H]3COC[C@@H]3C(=O)NO)cc2)c2ccccc2n1 Homo sapiens CHEMBL4010789 single protein format
CHEMBL344312 OBDepict OH NH O O H H HN O H 3 C CH 3 H H 3 C CH 3 H 3 C HN O CH 3 IC50 = 0.6 nM 471.6 CNC(=O)[C@@H](NC(=O)[C@H](CC(C)C)[C@H](OCc1ccc2ccccc2c1)C(=O)NO)C(C)(C)C Homo sapiens CHEMBL820592 tissue-based format