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P07339 | CATD_HUMAN | Cathepsin D (CTSD)

3D structures mapped by conservation among orthologs

[ Domain: "acid protease" // Asp_C,Asp_N ]

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[ Domain: "acid protease" // Asp_N ]

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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
CHEMBL3342185 OBDepict N N HN N O O O CH 3 CH 3 CH 3 Ki = 0.00143 nM 394.48 CC(C)(C)OC(=O)NN(C#N)CC(=O)N(Cc1ccccc1)Cc1ccccc1 Homo sapiens CHEMBL3382368 single protein format
CHEMBL3342184 OBDepict N N HN N O O O H 3 C CH 3 CH 3 CH 3 Ki = 0.0042 nM 318.38 CN(Cc1ccccc1)C(=O)CN(C#N)NC(=O)OC(C)(C)C Homo sapiens CHEMBL3382368 single protein format
CHEMBL3342183 OBDepict N N NH O O N O CH 3 CH 3 CH 3 O Ki = 0.011 nM 284.32 CC(C)(C)OC(=O)NN(C#N)CC(=O)N1CCOCC1 Homo sapiens CHEMBL3382368 single protein format
CHEMBL257594 OBDepict O N H N H OH N CH 3 CH 3 IC50 = 0.5 nM 357.41 Cc1ccc2c(NNC(=O)c3ccccc3O)c3ccccc3nc2c1C Homo sapiens CHEMBL929232 single protein format
CHEMBL4576166 OBDepict O HN H H HO O N H H CH 3 H 3 C O NH IC50 = 0.6 nM 537.75 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc3ccccc3c2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL2407339 OBDepict CH 2 NH O H OH H N H H O N H 2 C CH 3 CH 3 H 3 C IC50 = 0.84 nM 559.8 C=CCCCC(=O)N[C@@H](Cc1cccc(CC=C)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2411009 single protein format
CHEMBL2408751 OBDepict CH 3 H 3 C O H N H OH H HN H H 3 C H 3 C CH 3 O CH 3 F F IC50 = 1.0 nM 516.67 CCC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 Homo sapiens CHEMBL2410948 single protein format
CHEMBL595066 OBDepict CH 3 O N H O HN H HO H O HN CH 3 H 3 C IC50 = 1.0 nM 571.76 COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2 Homo sapiens CHEMBL1050390 single protein format
CHEMBL558488 OBDepict CH 3 H 3 C O H N H H 3 C CH 3 OH H H NH O H CH 3 H H 3 C N H 3 C O IC50 = 1.0 nM 557.82 CC(C)c1ccc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1C[C@H](C)CCCCCCCCC(=O)N(C)[C@@H](C)C(=O)N1)CC(C)(C)O2 Homo sapiens CHEMBL1030363 single protein format
CHEMBL4558691 OBDepict O NH H H OH O N H H NH N O IC50 = 1.1 nM 536.72 O=C1C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc2cccnc2)N1 Homo sapiens CHEMBL4325791 assay format
CHEMBL371064 OBDepict CH 3 N N N H O N H O N Ki = 1.29 nM 411.55 CCCN1CCN(c2ccc(C(=O)NC3(C(=O)NCC#N)CCCCC3)cc2)CC1 Homo sapiens CHEMBL3382368 single protein format
CHEMBL2407491 OBDepict O NH H N OH H NH O H O N H 3 C CH 3 H 3 C IC50 < 2.0 nM 598.79 CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCn3cc(ccc3=O)C(=O)N1)CC1(CCC1)O2 Homo sapiens CHEMBL2411009 single protein format
CHEMBL2030998 OBDepict CH 3 NH O H OH H N H H F F O N CH 3 CH 3 H 3 C IC50 = 2.0 nM 501.62 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL2407492 OBDepict O HN H N HO H NH O H O N H 3 C H 3 C CH 3 IC50 = 2.0 nM 584.76 CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCn3cc(ccc3=O)C(=O)N1)CC1(CCC1)O2 Homo sapiens CHEMBL2411009 single protein format
CHEMBL2408752 OBDepict CH 3 H 3 C O H N H OH H HN H H 3 C H 3 C CH 3 O CH 3 F F IC50 = 2.0 nM 516.67 CCC[C@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 Homo sapiens CHEMBL2410948 single protein format
CHEMBL4514021 OBDepict O O HN H H HO O N H H CH 3 H 3 C O N H IC50 = 2.5 nM 503.68 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OCCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL595267 OBDepict H 3 C O N O O HN H HO H O HN CH 3 H 3 C IC50 = 3.0 nM 573.73 COCc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)NC2=O Homo sapiens CHEMBL1050390 single protein format
CHEMBL2030997 OBDepict CH 3 NH O H OH H N H H F O N CH 3 CH 3 H 3 C IC50 = 3.0 nM 483.63 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL4444244 OBDepict O HN H H HO O N H F F H CH 3 H 3 C O NH IC50 = 3.1 nM 523.67 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(F)c(F)c2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL4560400 OBDepict O HN H H HO O N H H CH 3 H 3 C O N H IC50 = 3.5 nM 501.71 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL4532529 OBDepict H 3 C CH 3 H H N H O N H O H HO H HN O IC50 = 3.8 nM 501.71 CC[C@@H](C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL2030996 OBDepict CH 3 NH O H OH H N H H F O N CH 3 CH 3 H 3 C IC50 = 4.0 nM 483.63 CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL2031142 OBDepict CH 3 NH O H OH H N H H F F O N H H 3 C CH 3 CH 3 H 3 C IC50 = 4.0 nM 515.65 CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)CN[C@H]1C[C@]2(C[C@@H](C)C2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL4569563 OBDepict O HN H H HO O N H Cl Cl H CH 3 H 3 C O NH IC50 = 4.2 nM 556.58 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL2407487 OBDepict O HN H HO H NH H O N H 3 C H 3 C CH 3 IC50 = 4.3 nM 533.76 CC(C)(C)Cc1cnc2c(c1)[C@@H](NC[C@@H](O)[C@@H]1Cc3cccc(c3)CCCCCCC(=O)N1)CC1(CCC1)O2 Homo sapiens CHEMBL2411009 single protein format
CHEMBL2151151 OBDepict CH 3 NH O H OH H N H H O N CH 3 CH 3 H 3 C IC50 = 4.5 nM 465.64 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2411009 single protein format
CHEMBL4551750 OBDepict F H HN H HO O O N H H CH 3 H 3 C O NH IC50 = 4.7 nM 505.68 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(F)cc2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL2408753 OBDepict CH 3 O H 3 C O H N H OH H HN H H 3 C H 3 C CH 3 O CH 3 F F IC50 = 5.0 nM 518.65 COC[C@@]1(C)C[C@H](NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)c2cc(CC(C)(C)C)ccc2O1 Homo sapiens CHEMBL2410948 single protein format
CHEMBL2031000 OBDepict CH 3 NH O H OH H N H H F O N H CH 3 CH 3 CH 3 H 3 C IC50 = 5.0 nM 497.66 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(CC[C@@H]2C)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL4576319 OBDepict O HN H H HO O N H H CH 3 H 3 C O NH IC50 = 5.8 nM 487.69 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL2408755 OBDepict H 3 C HN O H OH H N H H F F O CH 3 H 3 C CH 3 IC50 = 6.0 nM 486.6 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC2(CC2)Oc2ccc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2410948 single protein format
CHEMBL2407496 OBDepict H 2 C N H O H OH H N H H O H 2 C H 3 C IC50 = 6.3 nM 516.73 C=CCCCC(=O)N[C@@H](Cc1cccc(CC=C)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(CC)cc21 Homo sapiens CHEMBL2411009 single protein format
CHEMBL1257185 OBDepict H OH NH H NH O CH 3 N F F N N IC50 = 8.0 nM 541.69 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cn(C34CC5CC(CC(C5)C3)C4)nn2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL2408760 OBDepict CH 3 NH O H HO H N H H F F CH 3 CH 3 H 3 C IC50 = 8.0 nM 458.59 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCCc2ccc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2410948 single protein format
CHEMBL2408757 OBDepict H HO NH H N H O H 3 C H F F CH 3 CH 3 O CH 3 CH 3 N IC50 = 8.0 nM 499.6 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C#N)cc21 Homo sapiens CHEMBL2410948 single protein format
CHEMBL2031140 OBDepict CH 3 NH O H OH H N H H F O N H H 3 C CH 3 CH 3 H 3 C IC50 = 8.0 nM 497.66 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@@H](C)C2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL2031144 OBDepict CH 3 NH O H OH H N H H F O N H F CH 3 CH 3 H 3 C IC50 = 8.0 nM 501.62 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@@H](F)C2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL4561907 OBDepict O NH H H OH O NH H O N H IC50 = 8.2 nM 527.75 O=C1C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC(=O)[C@H](C2CCCCC2)N1 Homo sapiens CHEMBL4325791 assay format
CHEMBL1097361 OBDepict H 3 C HN O CH 3 H OH H NH H O H 3 C CH 3 N H H O S NH H CH 3 O H 3 C H 3 C CH 3 IC50 = 9.0 nM 544.8 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(C)=O Homo sapiens CHEMBL1107841 single protein format
CHEMBL1258467 OBDepict CH 3 NH O H OH H N H F F S H 3 C CH 3 H 3 C IC50 = 9.0 nM 492.68 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(CC(C)(C)C)cs2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL4583528 OBDepict O HN H H HO O N H H CH 3 H 3 C O NH IC50 = 9.0 nM 493.73 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](CC2CCCCC2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL404394 OBDepict CH 3 N H O N H N H 3 C CH 3 IC50 = 9.0 nM 355.44 Cc1cccc(C(=O)NNc2c3ccccc3nc3c(C)c(C)ccc23)c1 Homo sapiens CHEMBL929232 single protein format
CHEMBL2158253 OBDepict CH 3 HN O H HO H NH H 3 C CH 3 O S CH 3 H 3 C CH 3 Ki = 9.9 nM 458.67 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Oc2sc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2161503 single protein format
CHEMBL210240 OBDepict H 3 C NH O H 3 C H HO H H N H S O H CH 3 N H O S H N H H IC50 = 10.0 nM 514.76 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSC/C=C/CS[C@H]2CCCN[C@H]2C(=O)N[C@@H](C)C(=O)N1 Homo sapiens CHEMBL866007 single protein format
CHEMBL600326 OBDepict CH 3 N O O HN H HO H O HN CH 3 H 3 C IC50 = 11.0 nM 543.71 Cc1cc2cc(n1)OCCCCOc1cccc(c1)C[C@@H]([C@H](O)CNC1(c3cccc(C(C)C)c3)CC1)NC2=O Homo sapiens CHEMBL1050390 single protein format
CHEMBL4452510 OBDepict O NH H H OH O N H H H 3 C CH 3 O N H IC50 = 11.0 nM 515.74 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL2031146 OBDepict CH 3 NH O H OH H N H H F O N F F CH 3 CH 3 H 3 C IC50 = 11.0 nM 519.61 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1CC2(CC(F)(F)C2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL2408737 OBDepict CH 3 NH O H HO H N H H F F O CH 3 CH 3 H 3 C IC50 = 12.0 nM 460.57 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CCOc2ccc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2410948 single protein format
CHEMBL1258001 OBDepict CH 3 HN O H HO H N H F F N H S H 3 C H 3 C CH 3 O O CH 3 IC50 = 12.0 nM 565.73 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(NS(C)(=O)=O)cc(C(C)(C)C)c2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL1257184 OBDepict H OH N H H N H O CH 3 N F F N N Si CH 3 CH 3 H 3 C IC50 = 12.0 nM 493.68 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cn(C[Si](C)(C)C)nn2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL2030994 OBDepict CH 3 NH O H OH H N H H F O N H F CH 3 CH 3 H 3 C IC50 = 12.0 nM 501.62 CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@]2(C[C@@H](F)C2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL2030995 OBDepict CH 3 NH O H OH H N H H F O N H F CH 3 CH 3 H 3 C IC50 = 14.0 nM 501.62 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL1258687 OBDepict CH 3 NH O H OH H N H F F O N H 3 C CH 3 H 3 C IC50 = 14.0 nM 477.6 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(CC(C)(C)C)no2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL4474088 OBDepict O NH H H OH O N H H O HN IC50 = 15.0 nM 535.73 O=C1C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC(=O)[C@H](Cc2ccccc2)N1 Homo sapiens CHEMBL4325791 assay format
CHEMBL4455874 OBDepict H 3 C HN O H N H O N H O H HO H HN O IC50 = 16.0 nM 558.76 CC(=O)NCCCC[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL2408756 OBDepict H 3 C HN O H OH H N H H F F H 3 C H 3 C O F F H 3 C IC50 = 16.0 nM 496.55 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(F)F)cc21 Homo sapiens CHEMBL2410948 single protein format
CHEMBL2031143 OBDepict CH 3 NH O H OH H N H H F F O N H H 3 C CH 3 CH 3 H 3 C IC50 = 17.0 nM 515.65 CC(=O)N[C@@H](Cc1ccc(F)c(F)c1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](C)C2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL2408750 OBDepict H 3 C HN O H OH H N H H F F H 3 C H 3 C O H 3 C H 3 C CH 3 IC50 = 18.0 nM 488.62 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@H]1CC(C)(C)Oc2ccc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2410948 single protein format
CHEMBL211432 OBDepict H 3 C NH O CH 3 H OH H H N H S O H CH 3 N H O H NH S O O CH 3 H 3 C CH 3 IC50 = 20.0 nM 590.85 CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]1CSCCCCCSC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N1 Homo sapiens CHEMBL866007 single protein format
CHEMBL4582805 OBDepict O HN H S H HO O N H H CH 3 H 3 C O NH IC50 = 20.0 nM 533.78 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](CSCc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL113208 OBDepict H 3 C CH 3 N H H O NH 2 O NH CH 3 H O HO H N H H O N H H H 3 C CH 3 O N IC50 = 21.0 nM 596.73 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Homo sapiens CHEMBL658681 single protein format
CHEMBL4562486 OBDepict O N H N H H H OH H 3 C CH 3 O HN H NH O IC50 = 21.0 nM 502.7 CC(C)[C@@H]1NC(=O)NC[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL2349486 OBDepict Cl O N O N CH 3 H 3 C H 2 N N O H 3 C IC50 = 21.0 nM 495.02 CC(=O)N1CCC(CN2C(=O)C3(CC(C)(C)Oc4ccc(-c5cccc(Cl)c5)cc43)N=C2N)CC1 Homo sapiens CHEMBL2352017 single protein format
CHEMBL113208 OBDepict H 3 C CH 3 N H H O NH 2 O NH CH 3 H O HO H N H H O N H H H 3 C CH 3 O N Ki = 21.0 nM 596.73 CC(C)C[C@H](NC(=O)[C@H](C)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C)C(N)=O Homo sapiens CHEMBL874094 single protein format
CHEMBL584547 OBDepict CH 2 NH N H HO H N H H CH 3 H 3 C CH 3 O H 3 C F F IC50 = 22.0 nM 485.62 C=C1CCC(NC[C@@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(C)=O)(c2cccc(C(C)(C)C)c2)CN1 Homo sapiens CHEMBL1045212 single protein format
CHEMBL572081 OBDepict CH 3 HN O H HO H NH F F N N IC50 = 22.0 nM 482.58 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(-n3cccn3)c2)CCCCC1 Homo sapiens CHEMBL1045212 single protein format
CHEMBL2031145 OBDepict CH 3 NH O H OH H N H H F O N H F CH 3 CH 3 H 3 C IC50 = 22.0 nM 501.62 CC(=O)N[C@@H](Cc1cccc(F)c1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](F)C2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL4573241 OBDepict H 3 C H 3 C H HN H HO O O N H H H 3 C CH 3 O NH IC50 = 22.0 nM 453.67 CC(C)C[C@@H]1NC(=O)CCCCCCCCCCCNC(=O)[C@H](C(C)C)NC(=O)C[C@@H]1O Homo sapiens CHEMBL4325791 assay format
CHEMBL3321931 OBDepict CH 3 O O H 3 C N H O N H NH H NH O H 3 C CH 3 O F H 3 C IC50 = 24.0 nM 488.56 COc1cc(CNC(=O)[C@@H](CC(C)C)NC(=N)NC(=O)Cc2ccc(OC)c(OC)c2)ccc1F Homo sapiens CHEMBL3371146 assay format
CHEMBL1257531 OBDepict H 3 C HN O H OH H N H F F F H 3 C H 3 C CH 3 IC50 = 24.0 nM 490.61 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(F)cc(C(C)(C)C)c2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL571860 OBDepict H 3 C HN O H OH H N H F F H 3 C H 3 C CH 3 IC50 = 25.0 nM 472.62 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cccc(C(C)(C)C)c2)CCCCC1 Homo sapiens CHEMBL1045212 single protein format
CHEMBL4554001 OBDepict O NH H H OH O NH H O N H IC50 = 27.0 nM 521.7 O=C1C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCNC(=O)[C@H](c2ccccc2)N1 Homo sapiens CHEMBL4325791 assay format
CHEMBL570762 OBDepict H 3 C HN O H OH H N H F F NH H F F F H 3 C H 3 C CH 3 IC50 = 28.0 nM 541.61 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CN[C@@]1(c2cccc(C(C)(C)C)c2)CC[C@H](C(F)(F)F)NC1 Homo sapiens CHEMBL1045212 single protein format
CHEMBL2407495 OBDepict CH 2 N H O H OH H N H H O H 2 C H 3 C IC50 = 29.0 nM 502.7 C=CCCC(=O)N[C@@H](Cc1cccc(CC=C)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(CC)cc21 Homo sapiens CHEMBL2411009 single protein format
CHEMBL1258918 OBDepict CH 3 N H O H HO H N H F F N N H 3 C H 3 C CH 3 IC50 = 29.0 nM 476.61 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cnn(CC(C)(C)C)c2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL3342186 OBDepict CH 3 N N O O N N O H 3 C H 3 C CH 3 O Ki = 31.0 nM 298.34 CN(C(=O)OC(C)(C)C)N(C#N)CC(=O)N1CCOCC1 Homo sapiens CHEMBL3382368 single protein format
CHEMBL4453458 OBDepict O NH H H OH O N H H H 3 C CH 3 O N H IC50 = 32.0 nM 529.77 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL1258466 OBDepict CH 3 NH O H OH H N H F F S CH 3 CH 3 H 3 C IC50 = 32.0 nM 478.65 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(C(C)(C)C)cs2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL1088215 OBDepict CH 3 NH O H 3 C H HO H HN H O CH 3 H 3 C N H H O S N H CH 3 H H 3 C O CH 3 IC50 = 35.0 nM 502.72 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(C)=O Homo sapiens CHEMBL1107841 single protein format
CHEMBL2407338 OBDepict CH 2 N H O H OH H N H H O H 2 C H 3 C IC50 = 36.0 nM 530.75 C=CCCCCC(=O)N[C@@H](Cc1cccc(CC=C)c1)[C@H](O)CN[C@H]1CC2(CCC2)Oc2ccc(CC)cc21 Homo sapiens CHEMBL2411009 single protein format
CHEMBL2158259 OBDepict H 3 C HN O H HO H N H H N CH 3 CH 3 N H 3 C H 3 C CH 3 Ki = 36.0 nM 440.63 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN[C@H]1CC(C)(C)Cn2nc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2161503 single protein format
CHEMBL2158256 OBDepict H HO NH H HN O H 3 C CH 3 CH 3 N N H 3 C H 3 C CH 3 Ki = 37.0 nM 440.63 CC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CNC1CC(C)(C)Cc2nn(CC(C)(C)C)cc21 Homo sapiens CHEMBL2161503 single protein format
CHEMBL2031141 OBDepict CH 3 NH O H OH H N H H F O N H H 3 C CH 3 CH 3 H 3 C IC50 = 38.0 nM 497.66 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(C[C@H](C)C2)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL4455141 OBDepict HO H HN H HO O O N H H CH 3 H 3 C O NH IC50 = 39.0 nM 503.68 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL4468607 OBDepict O NH H H OH O N H H H 3 C CH 3 O N H IC50 = 40.0 nM 473.66 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccccc2)NC(=O)CCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format
CHEMBL4591760 OBDepict H 3 C CH 3 N H H OH H O N H O N H H H 3 C CH 3 H 3 C H O O HO N H H H 3 C CH 3 O CH 3 H 3 C IC50 = 40.0 nM 528.69 CC(C)CC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)[C@@H](O)CC(=O)N[C@@H](C)C(=O)O)C(C)C)C(C)C Homo sapiens CHEMBL4325791 assay format
CHEMBL1258353 OBDepict CH 3 NH O H OH H N H F F S H 3 C CH 3 IC50 = 40.0 nM 464.62 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(C(C)C)cs2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL1258352 OBDepict CH 3 NH O H OH H N H F F S H 3 C CH 3 IC50 = 42.0 nM 464.62 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2csc(C(C)C)c2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL491348 OBDepict Cl Cl N H N H O H 3 C O + N O _ O Cl IC50 = 42.0 nM 426.64 CC(=O)c1c(Nc2ccc(Cl)cc2Cl)[nH]c2c([N+](=O)[O-])cc(Cl)cc2c1=O Homo sapiens CHEMBL1021961 assay format
CHEMBL1257649 OBDepict H 3 C HN O H OH H N H F F Br H 3 C H 3 C CH 3 IC50 = 42.0 nM 551.52 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(Br)cc(C(C)(C)C)c2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL3321933 OBDepict CH 3 O O CH 3 NH O NH HN H N H O N N N H N IC50 = 44.0 nM 548.65 COc1ccc(CC(=O)NC(=N)N[C@H](CC2CCCCC2)C(=O)NCc2ccc(-c3nnn[nH]3)cc2)cc1OC Homo sapiens CHEMBL3371146 assay format
CHEMBL1258119 OBDepict H 3 C N H O H OH H NH F F O CH 3 H 3 C CH 3 H 3 C IC50 = 45.0 nM 514.66 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(C(C)=O)cc(C(C)(C)C)c2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL2029366 OBDepict CH 3 NH O H OH H N H H F O N H CH 3 CH 3 CH 3 H 3 C IC50 = 46.0 nM 497.66 CC(=O)N[C@@H](Cc1ccc(F)cc1)[C@H](O)CN[C@H]1C[C@]2(CC[C@H]2C)Oc2ncc(CC(C)(C)C)cc21 Homo sapiens CHEMBL2033077 single protein format
CHEMBL1257773 OBDepict CH 3 O HN CH 3 CH 3 H 3 C OH H N H H O CH 3 F F IC50 = 47.0 nM 502.65 COc1cc(C(C)(C)C)cc(C2(NC[C@@H](O)[C@H](Cc3cc(F)cc(F)c3)NC(C)=O)CCCCC2)c1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL1097007 OBDepict H 3 C HN O CH 3 H OH H NH H O H 3 C CH 3 N H H O S N H H CH 3 CH 3 H 3 C O CH 3 IC50 = 48.0 nM 530.78 CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](NC(C)=O)C(C)C Homo sapiens CHEMBL1107841 single protein format
CHEMBL309721 OBDepict CH 3 HN O OH NH O N H H H 3 C H CH 3 O Ki = 50.0 nM 545.72 CCCCNC(=O)CC(O)C(Cc1ccccc1)NC(=O)[C@@H](NC(=O)Cc1ccc2ccccc2c1)[C@@H](C)CC Homo sapiens CHEMBL661012 single protein format
CHEMBL1098671 OBDepict CH N H O N H H O OH H HN H O HN H CH 3 H 3 C O N IC50 = 50.0 nM 597.72 C#CCNC(=O)[C@H](Cc1ccccc1)NC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)c1ccccn1)C(C)C Homo sapiens CHEMBL1114767 single protein format
CHEMBL97013 OBDepict H 3 C N H O OH HN O CH 3 CH 3 NH H 3 C H 3 C O Ki = 50.0 nM 511.71 CCCCNC(=O)CC(O)C(CC(C)C)NC(=O)C(NC(=O)Cc1ccc2ccccc2c1)C(C)CC Homo sapiens CHEMBL662655 single protein format
CHEMBL1257650 OBDepict H 3 C HN O H OH H N H F F I H 3 C H 3 C CH 3 IC50 = 55.0 nM 598.52 CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)CNC1(c2cc(I)cc(C(C)(C)C)c2)CCCCC1 Homo sapiens CHEMBL1260849 single protein format
CHEMBL4536689 OBDepict O NH H H OH O N H O H H 3 C CH 3 O HN IC50 = 55.0 nM 593.81 CC(C)[C@@H]1NC(=O)C[C@H](O)[C@H](Cc2ccc(OCc3ccccc3)cc2)NC(=O)CCCCCCCCCCCNC1=O Homo sapiens CHEMBL4325791 assay format