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P29466 | CASP1_HUMAN | Caspase-1 (CASP1)

3D structures mapped by conservation among orthologs

[ Domain: "DEATH domain" // CARD ]

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[ Domain: "Caspase-like" // Peptidase_C14 ]

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[ Domain: pdbs with more than 2 multi-domains ]

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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
CHEMBL367356 OBDepict CH 3 N N H O O N NH H O N H O HO N O CH 3 N N IC50 = 0.0087 nM 552.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL360788 OBDepict CH 3 N NH O O N N H H O N H O HO N O CH 3 N N IC50 = 0.013 nM 566.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL369290 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H CH 3 N O H 3 C N IC50 = 0.025 nM 576.7 CCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(CC)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL178514 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.025 nM 576.7 CCCCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL359598 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.028 nM 548.65 CCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL179551 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.031 nM 520.59 CCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL181623 OBDepict CH 3 N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.048 nM 534.62 CCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL264344 OBDepict CH 3 N NH O O N N H H O N H O HO N O CH 3 N N H 3 C H 3 C IC50 = 0.056 nM 492.54 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(C)CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL178116 OBDepict CH 3 N H NH O O HN H O O S O HO N H H O H 3 C O OH IC50 = 0.06 nM 588.64 CC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1cccc(NC(=O)[C@H](CC(=O)O)NC(C)=O)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL180646 OBDepict H 3 C N CH 3 HN O HN H O O OH N CH 3 O N N H H 3 C CH 3 N O H 3 C N IC50 = 0.063 nM 590.73 CCCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(C(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL181274 OBDepict CH 3 N N H O O N N H H O N H O HO N O CH 3 N H 3 C H IC50 = 0.064 nM 525.57 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CN[C@@H](C)c1ccccc1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL361613 OBDepict H 3 C N HN O O N N H H O S O OH S IC50 = 0.065 nM 528.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cccs2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL362213 OBDepict CH 3 N N H O O N HN H O S O OH O O IC50 = 0.087 nM 580.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCC2COc3ccccc3O2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL180669 OBDepict CH 3 N CH 3 HN O HN H O O OH N CH 3 O N N H CH 3 CH 3 H 3 C N O H 3 C N IC50 = 0.11 nM 590.73 CCCCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL179503 OBDepict CH 3 N CH 3 O HN O O OH N CH 3 O N N H CH 3 CH 3 H 3 C N O H 3 C N ClH IC50 = 0.11 nM 598.15 CCCCCN(C)CC(=O)C(CC(=O)O)NC(=O)C(CC)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O.Cl Homo sapiens CHEMBL829508 assay format
CHEMBL181768 OBDepict H 3 C N HN O O N N H H O S O OH N S IC50 = 0.13 nM 529.64 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nccs2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL26544 OBDepict OH O N H O O O N H H 3 C H O N H H H 3 C CH 3 O Ki = 0.15 nM 547.61 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)COc1ccccc1 Homo sapiens CHEMBL698033 single protein format
CHEMBL360355 OBDepict CH 3 N N H O O N N H H O O OH N O H 3 C N IC50 = 0.15 nM 392.37 CCC(C(=O)N[C@H](C=O)CC(=O)O)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL286519 OBDepict OH O N H O O O H N O N H H CH 3 H 3 C O Ki = 0.15 nM 587.67 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCCC[C@H]1C(=O)NC(CC(=O)O)C(=O)COc1ccccc1 Homo sapiens CHEMBL698033 single protein format
CHEMBL180273 OBDepict H 3 C N HN O O N N H H O S O OH S N IC50 = 0.19 nM 529.64 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cncs2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL589552 OBDepict O HN H O O HO HN CH 3 H O HN H CH 3 H 3 C O IC50 = 0.2 nM 441.48 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N[C@@H](C)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL1070962 single protein format
CHEMBL553107 OBDepict HO O N H O O O H N O N H H CH 3 H 3 C O Ki = 0.2 nM 573.65 CC(C)[C@H](NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC[C@H]1C(=O)NC(CC(=O)O)C(=O)COc1ccccc1 Homo sapiens CHEMBL698033 single protein format
CHEMBL181775 OBDepict H 3 C N HN O O N NH H O S O OH N S H 3 C IC50 = 0.22 nM 579.7 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(Nc2ccc3sc(C)nc3c2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL433771 OBDepict H 3 C N HN O O N N H H O S O OH N O H 3 C N IC50 = 0.22 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL180763 OBDepict H 3 C N HN O O N N H H O S O OH O N CH 3 IC50 = 0.23 nM 527.6 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2cc(C)no2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL424789 OBDepict CH 3 N N H O O N N H H O N H O HO N O CH 3 N N IC50 = 0.29 nM 504.55 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCCC1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL111965 OBDepict CH 3 N H N H O O N H O O HN O HO IC50 = 0.37 nM 582.66 CC[C@@H](C(=O)NC(CC(=O)O)C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL659499 single protein format
CHEMBL115090 OBDepict CH 3 N N H O O HN H O O N H O OH Ki = 0.37 nM 582.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL696526 single protein format
CHEMBL362191 OBDepict H 3 C N HN O O N N H H O S O OH N O IC50 = 0.4 nM 513.58 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2ccon2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL179066 OBDepict H 3 C N N H O O N HN H O N O O OH N O CH 3 N IC50 = 0.46 nM 535.52 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)c1ncc(-c2ccccc2)o1)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL1221597 OBDepict O NH H O O HO H CH 3 H 3 C HN O Ki = 0.58 nM 412.49 CC(C)[C@H](CC(=O)NCCc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL1227797 single protein format
CHEMBL437105 OBDepict O HN H O O OH H N N O O H HN O N Ki = 0.6 nM 495.49 O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 Homo sapiens CHEMBL1227797 single protein format
CHEMBL181763 OBDepict CH 3 N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 0.62 nM 506.56 CCCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL434147 OBDepict H 3 C N HN O O N N H H H 3 C H 3 C CH 3 O N H O OH N O H 3 C N N IC50 = 0.62 nM 574.68 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCCCC1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL360956 OBDepict H 3 C N HN O O N N H H O S O OH O N N CH 3 IC50 = 0.67 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nc(C)no2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL178775 OBDepict H 3 C N HN O O N N H H H 3 C H 3 C CH 3 O N H O OH N O H 3 C N N O IC50 = 0.73 nM 576.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1CCOCC1)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL111839 OBDepict O NH O O OH N H H 3 C H O N H H H 3 C CH 3 O N H H O H 3 C OH IC50 = 0.76 nM 492.53 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)NC(C=O)CC(=O)O)C(C)C Homo sapiens CHEMBL659500 single protein format
CHEMBL366456 OBDepict CH 3 N H O HN H O O HO N CH 3 O N H O Ki = 0.76 nM 534.61 CCCCNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL696526 single protein format
CHEMBL366534 OBDepict H 3 C N H O NH H O O OH N CH 3 O N H O Ki = 0.85 nM 562.67 CCCCCCNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL696526 single protein format
CHEMBL178674 OBDepict CH 3 N NH O O N N H H O N H O HO N O CH 3 N N IC50 = 0.88 nM 530.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN1C2CCC1CC2)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL181027 OBDepict CH 3 N NH O O N N H H O N H O OH N O H 3 C N N CH 3 CH 3 IC50 = 0.89 nM 478.51 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(C)C)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL360915 OBDepict CH 3 N N H O O N HN H O S O OH O N N H 3 C IC50 = 0.9 nM 542.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCc2nc(C)no2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL1221644 OBDepict O HN H O O OH H CH 3 H 3 C N H O H 3 C N H 3 C Ki = 0.9 nM 429.52 Cc1c(CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C)c2ccccc2n1C Homo sapiens CHEMBL1227797 single protein format
CHEMBL359643 OBDepict CH 3 O NH N O N N H O CH 3 H O S O OH IC50 = 0.92 nM 504.61 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCOC)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL1221595 OBDepict O N H H O O OH H H 3 C CH 3 NH O HN Cl Ki = 0.95 nM 411.89 CC(C)[C@H](CC(=O)NCCNc1cccc(Cl)c1)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL1227797 single protein format
CHEMBL220238 OBDepict CH 3 N NH O O N N H H O S O HO N O N IC50 = 0.98 nM 590.66 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2nnc(-c3ccccc3)o2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL447233 OBDepict CH 3 N N H O O N HN H O S O OH N N IC50 = 0.99 nM 526.62 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cccn2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL299288 OBDepict O N H H O O OH H N N O O H N H O F Ki = 1.0 nM 462.43 O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3F)C(=O)N12 Homo sapiens CHEMBL696527 single protein format
CHEMBL293979 OBDepict O NH H O O HO H N N O O H N H O O O OH Ki = 1.0 nM 518.48 O=C[C@H](CC(=O)O)NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3ccc(OCC(=O)O)cc3)C(=O)N12 Homo sapiens CHEMBL696527 single protein format
CHEMBL1223114 OBDepict HO O HN H O O O N N H CH 3 H O H O H N H H H 3 C CH 3 O O Ki = 1.0 nM 588.66 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CON1C(=O)C[C@@H]2CCCC[C@@H]21 Homo sapiens CHEMBL1227461 single protein format
CHEMBL196753 OBDepict O O OH H NH O H N O O H H N H O N IC50 = 1.0 nM 496.52 O=C1C[C@H](NC(=O)[C@@H]2COC[C@@H]3CCCC[C@H](NC(=O)c4nccc5ccccc45)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL3142900 OBDepict O NH H O O HO N N O O H N H O F IC50 = 1.0 nM 462.43 O=C[C@H](CC(=O)O)NC(=O)C1CCCN2C(=O)CC[C@H](NC(=O)c3ccccc3F)C(=O)N12 Homo sapiens CHEMBL659500 single protein format
CHEMBL196911 OBDepict O O OH H NH O H N NH O H H N H O IC50 = 1.0 nM 494.55 O=C1C[C@H](NC(=O)[C@@H]2CNC[C@@H]3CCCC[C@H](NC(=O)c4ccc5ccccc5c4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL382090 OBDepict O O OH H NH O H N HN O H H N H O N IC50 = 1.0 nM 495.54 O=C1C[C@H](NC(=O)[C@@H]2CNC[C@@H]3CCCC[C@H](NC(=O)c4nccc5ccccc45)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL198516 OBDepict O O OH H N H O H N N S O H O O CH 3 H N H O N IC50 = 1.0 nM 573.63 CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N2[C@H](C(=O)N[C@H]2CC(=O)OC2O)C1 Homo sapiens CHEMBL860329 single protein format
CHEMBL197811 OBDepict O O OH H NH O H N N S O H O O CH 3 H N H O IC50 = 1.0 nM 572.64 CS(=O)(=O)N1C[C@@H]2CCCC[C@H](NC(=O)c3ccc4ccccc4c3)C(=O)N2[C@H](C(=O)N[C@H]2CC(=O)OC2O)C1 Homo sapiens CHEMBL860329 single protein format
CHEMBL198644 OBDepict O O HO H HN O H N N O H O O H N H O IC50 = 1.0 nM 576.61 O=C1C[C@H](NC(=O)[C@@H]2CN(C(=O)OCc3ccccc3)C[C@@H]3C/C=CC[C@H](NC(=O)c4ccccc4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL381624 OBDepict O O OH H NH O H N O O H H N H O S IC50 = 1.0 nM 501.56 O=C1C[C@H](NC(=O)[C@@H]2COC[C@@H]3CCCC[C@H](NC(=O)c4cc5ccccc5s4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL394351 OBDepict O O HO H NH O N H 3 C H O H N H O IC50 = 1.0 nM 451.48 C[C@@H](C(=O)N[C@H]1CC(=O)OC1O)N1CC=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O Homo sapiens CHEMBL891324 single protein format
CHEMBL198845 OBDepict O O OH H NH O H N O O H H N H O IC50 = 1.0 nM 495.53 O=C1C[C@H](NC(=O)[C@@H]2COC[C@@H]3CCCC[C@H](NC(=O)c4ccc5ccccc5c4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL178280 OBDepict H 3 C N HN O O N N H H O S O OH N N O CH 3 IC50 = 1.08 nM 528.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCc2noc(C)n2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL2371932 OBDepict OH O N H H O O O N H CH 3 H O HN H CH 3 H 3 C O HN H O H 3 C HO Ki = 1.1 nM 598.65 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1)C(C)C Homo sapiens CHEMBL698033 single protein format
CHEMBL359542 OBDepict H 3 C O N H N O N N H O H 3 C H O S O OH IC50 = 1.11 nM 490.58 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCOC)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL181396 OBDepict CH 3 N NH O O N N H H O N H O HO N O CH 3 N N H 3 C H 3 C IC50 = 1.14 nM 506.56 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCN(CC)CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL368313 OBDepict CH 3 N N H O O NH H O O N H O HO Ki = 1.15 nM 596.68 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCCCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL696526 single protein format
CHEMBL178339 OBDepict CH 3 N N H O O N N H H CH 3 CH 3 H 3 C O CH 3 O OH N O H 3 C N IC50 = 1.23 nM 462.51 CCC(C(=O)N[C@@H](CC(=O)O)C(C)=O)n1cc(C(C)(C)C)nc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL1221691 OBDepict O N H H O O HO H H 3 C CH 3 N H O N H 3 C N CH 3 CH 3 Ki = 1.26 nM 444.53 Cc1cc2nc(C)n(CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C)c2cc1C Homo sapiens CHEMBL1227797 single protein format
CHEMBL1221643 OBDepict O NH H O O HO H H 3 C CH 3 N H O CH 3 N H Ki = 1.29 nM 415.49 Cc1[nH]c2ccccc2c1CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C Homo sapiens CHEMBL1227797 single protein format
CHEMBL1221743 OBDepict O NH H O O HO H CH 3 H 3 C HN O N Ki = 1.31 nM 413.47 CC(C)[C@H](CC(=O)NCCc1ccnc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL1227797 single protein format
CHEMBL25925 OBDepict CH 3 N HN O O N H H O O O O OH Ki = 1.4 nM 555.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL698033 single protein format
CHEMBL287440 OBDepict CH 2 N N H O O N H H O O O O OH Ki = 1.5 nM 567.6 C=CCC(C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL698033 single protein format
CHEMBL425699 OBDepict H 3 C O S NH O O O H 3 C H N H O CH 3 H 3 C H O S O OH IC50 = 1.6 nM 578.71 COc1ccc(S(C)(=O)=O)cc1CC(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)C(C)C Homo sapiens CHEMBL829508 assay format
CHEMBL361983 OBDepict CH 3 N N H O O N NH H O S O HO O N N H 3 C IC50 = 1.7 nM 556.65 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCc2nc(C)no2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL181295 OBDepict H 3 C O N CH 3 HN O HN H O O OH N CH 3 O N N H N O H 3 C N IC50 = 1.75 nM 522.56 CCOCN(C)CNCC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1ccnc(NCc2nonc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL176584 OBDepict H 3 C N CH 3 O NH H O O OH N CH 3 O N H O Ki = 1.79 nM 576.69 CCCCCCN(C)CC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL696526 single protein format
CHEMBL284219 OBDepict CH 3 N N H O O N H H O O O O HO Ki = 1.8 nM 569.61 CCCC(C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O Homo sapiens CHEMBL698033 single protein format
CHEMBL1221745 OBDepict O NH H O O HO H CH 3 H 3 C HN O N Ki = 1.81 nM 413.47 CC(C)[C@H](CC(=O)NCCc1cccc2ncccc12)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL1227797 single protein format
CHEMBL360020 OBDepict CH 3 N N H O O N HN H O S O OH N N CH 3 H 3 C IC50 = 1.82 nM 554.67 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2nc(C)cc2C)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL182103 OBDepict CH 3 N NH O O N N H H O S O HO N O IC50 = 1.9 nM 557.67 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCCN2CCCC2=O)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL116124 OBDepict O O O HN O O OH N H CH 3 H O N H H H 3 C CH 3 O O IC50 = 1.9 nM 583.64 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)COC(=O)CCc1ccccc1 Homo sapiens CHEMBL659499 single protein format
CHEMBL181948 OBDepict CH 3 N N H O O N HN H O S O OH N N N IC50 = 1.93 nM 527.61 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CSCc1ccccc1)n1ccnc(NCCn2cncn2)c1=O Homo sapiens CHEMBL829508 assay format
CHEMBL1223113 OBDepict O N H O H HN O CH 3 H 3 C CH 3 H N H O H O O O HO N O Ki = 2.0 nM 582.61 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CON1C(=O)Cc2ccccc21 Homo sapiens CHEMBL1227461 single protein format
CHEMBL437526 OBDepict H 3 C O H O H HN O O H N N O O H N H O N IC50 = 2.0 nM 523.55 CCO[C@@H]1OC(=O)C[C@@H]1NC(=O)[C@@H]1CCCN2C(=O)CC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N12 Homo sapiens CHEMBL880413 single protein format
CHEMBL199264 OBDepict O O OH H NH O H N N S O H O O H N H O IC50 = 2.0 nM 584.65 O=C1C[C@H](NC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]3CCCC[C@H](NC(=O)c4ccccc4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL112055 OBDepict O N H O O OH H N OH O HN H CH 3 H 3 C O HN H O CH 3 HO IC50 = 2.0 nM 534.57 CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N1CC(O)C[C@H]1C(=O)NC(C=O)CC(=O)O)C(C)C Homo sapiens CHEMBL659500 single protein format
CHEMBL397184 OBDepict O HN N H HO O O O H N H HN O O IC50 = 2.0 nM 570.6 O=C(CN1CC(CNC(=O)c2ccccc2)=CC[C@H](NC(=O)c2ccc3ccccc3c2)C1=O)N[C@H]1CC(=O)OC1O Homo sapiens CHEMBL891324 single protein format
CHEMBL26413 OBDepict CH 3 N N H O O HN H O O O O OH Ki = 2.2 nM 555.59 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)COc1ccccc1)n1cccc(NC(=O)c2cccc3ccccc23)c1=O Homo sapiens CHEMBL698033 single protein format
CHEMBL176512 OBDepict H 3 C N CH 3 O NH H O O OH N CH 3 O N H O Ki = 2.3 nM 562.67 CCCCN(CC)CC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL696526 single protein format
CHEMBL61453 OBDepict O O O HN O O OH N H CH 3 H O N H H H 3 C CH 3 O Ki = 2.7 nM 581.67 CC(C)[C@H](NC(=O)CCc1ccccc1)C(=O)N[C@@H](C)C(=O)NC(CC(=O)O)C(=O)COC(=O)CCc1ccccc1 Homo sapiens CHEMBL701426 single protein format
CHEMBL1221688 OBDepict O N H H O O OH H CH 3 H 3 C N H O N N H 3 C H 3 C Ki = 2.81 nM 430.51 Cc1cc2ncn(CCNC(=O)C[C@H](C(=O)N[C@H](C=O)CC(=O)O)C(C)C)c2cc1C Homo sapiens CHEMBL1227797 single protein format
CHEMBL1221744 OBDepict O N H H O O HO H H 3 C CH 3 NH O N N CH 3 CH 3 Ki = 3.0 nM 456.54 CC(C)[C@H](CC(=O)NCCc1cc(N(C)C)nc2ccccc12)C(=O)N[C@H](C=O)CC(=O)O Homo sapiens CHEMBL1227797 single protein format
CHEMBL1223113 OBDepict O N H O H HN O CH 3 H 3 C CH 3 H N H O H O O O HO N O IC50 = 3.0 nM 582.61 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CON1C(=O)Cc2ccccc21 Homo sapiens CHEMBL1227461 single protein format
CHEMBL1223114 OBDepict HO O HN H O O O N N H CH 3 H O H O H N H H H 3 C CH 3 O O IC50 = 3.0 nM 588.66 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)CON1C(=O)C[C@@H]2CCCC[C@@H]21 Homo sapiens CHEMBL1227461 single protein format
CHEMBL4203893 OBDepict O N H N H HO O O O N O HN CH 3 CH 3 O N H N N IC50 = 3.0 nM 573.57 CC(C)n1cc(NC(=O)c2ccc(Nc3cnc4ccccc4n3)cc2)c(=O)n(CC(=O)N[C@H]2CC(=O)OC2O)c1=O Homo sapiens CHEMBL4183465 single protein format
CHEMBL200266 OBDepict O O OH H NH O H N O O H H N H O S IC50 = 3.0 nM 499.55 O=C1C[C@H](NC(=O)[C@@H]2COC[C@@H]3C/C=CC[C@H](NC(=O)c4cc5ccccc5s4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL242298 OBDepict O NH H O O HO H N O O H H N H O N IC50 = 3.0 nM 494.5 O=C[C@H](CC(=O)O)NC(=O)[C@@H]1COC[C@@H]2C/C=CC[C@H](NC(=O)c3nccc4ccccc34)C(=O)N21 Homo sapiens CHEMBL891324 single protein format
CHEMBL199445 OBDepict O O OH H NH O H N O O H H N H O N IC50 = 3.0 nM 494.5 O=C1C[C@H](NC(=O)[C@@H]2COC[C@@H]3C/C=CC[C@H](NC(=O)c4nccc5ccccc45)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL200290 OBDepict O O OH H NH O H N O O H H N H O IC50 = 3.0 nM 493.52 O=C1C[C@H](NC(=O)[C@@H]2COC[C@@H]3C/C=CC[C@H](NC(=O)c4ccc5ccccc5c4)C(=O)N32)C(O)O1 Homo sapiens CHEMBL860329 single protein format
CHEMBL369634 OBDepict CH 3 N N H O O HN H O O N H O OH Ki = 3.05 nM 568.63 CCC(C(=O)N[C@@H](CC(=O)O)C(=O)CNCc1ccccc1)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL696526 single protein format
CHEMBL173677 OBDepict H 3 C N CH 3 O NH H O O OH N CH 3 O N H O Ki = 3.1 nM 548.64 CCCCN(C)CC(=O)[C@H](CC(=O)O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Homo sapiens CHEMBL696526 single protein format