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P17655 | CAN2_HUMAN | Calpain-2 catalytic subunit (CAPN2)

3D structures mapped by conservation among orthologs

[ Domain: "Galactose-binding domain-like" // Calpain_III ]

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[ Domain: "EF-hand" // EF-hand_8 ]

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[ Domain: "EF-hand" // EF-hand_7_2 ]

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[ Domain: "Cysteine proteinases" // Peptidase_C2 ]

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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
CHEMBL315636 OBDepict O N H H O HN H S O O O CH 3 Ki = 5.0 nM 404.49 CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL658531 single protein format
CHEMBL91991 OBDepict O NH H O N H H S O O O CH 3 O Ki = 5.0 nM 510.61 CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccc(OCc2ccccc2)cc1 Homo sapiens CHEMBL658531 single protein format
CHEMBL117023 OBDepict H 3 C CH 3 N H N H O O O O O HO Ki = 5.7 nM 440.5 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)O Homo sapiens CHEMBL658515 single protein format
CHEMBL92114 OBDepict O N H H O HN H S S O O CH 3 Ki = 7.0 nM 420.56 CS(=O)(=O)N[C@H](CSCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL658531 single protein format
CHEMBL89766 OBDepict O N H H O N H H O CH 3 S O O CH 3 Ki = 7.0 nM 418.52 CC(OCc1ccccc1)[C@@H](NS(C)(=O)=O)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL658531 single protein format
CHEMBL89008 OBDepict O N H H O NH H S O O O CH 3 Ki = 9.0 nM 418.52 CCS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL658531 single protein format
CHEMBL88895 OBDepict O N H H O N H H S O O CH 3 S Ki = 11.0 nM 380.49 CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL658531 single protein format
CHEMBL88646 OBDepict O NH H O N H H S O O CH 3 Ki = 13.0 nM 374.46 CS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N[C@H](C=O)Cc1ccccc1 Homo sapiens CHEMBL658531 single protein format
CHEMBL130506 OBDepict CH 3 N H O HN O O HN HO O O CH 3 H 3 C Ki = 15.0 nM 497.59 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL89100 OBDepict O NH H O N H H S O N H O O CH 3 S O O Ki = 17.0 nM 525.65 CS(=O)(=O)N[C@H](COCc1ccccc1)C(=O)N[C@H](C=O)CCCCNS(=O)(=O)c1ccccc1 Homo sapiens CHEMBL658531 single protein format
CHEMBL130114 OBDepict H 3 C NH O N H O O N H N O O CH 3 H 3 C Ki = 17.0 nM 468.55 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 Homo sapiens CHEMBL658514 single protein format
CHEMBL325223 OBDepict CH 3 NH O O HN CH 3 O NH O O H 3 C CH 3 Ki = 19.0 nM 489.66 CCCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL325401 OBDepict CH 3 NH O O NH 2 O N H O O CH 3 H 3 C Ki = 19.0 nM 377.44 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O Homo sapiens CHEMBL658515 single protein format
CHEMBL118025 OBDepict H 3 C NH O N H O O N H O O CH 3 H 3 C Ki = 22.0 nM 467.57 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL335293 OBDepict H 3 C N H O N H O O NH O O H 3 C CH 3 O O CH 3 CH 3 Ki = 22.0 nM 527.62 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cc(OC)cc(OC)c1 Homo sapiens CHEMBL658514 single protein format
CHEMBL117336 OBDepict H 3 C N H O N H O O NH O O H 3 C CH 3 Ki = 22.0 nM 481.59 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL118908 OBDepict CH 3 NH O O OH O N H O O CH 3 H 3 C Ki = 22.0 nM 378.43 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)O Homo sapiens CHEMBL658515 single protein format
CHEMBL134283 OBDepict CH 3 CH 3 HN NH O O O O HN O N Ki = 23.0 nM 580.69 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccc2ccccc2n1 Homo sapiens CHEMBL658514 single protein format
CHEMBL331850 OBDepict CH 3 H 3 C NH HN O O O O NH O Ki = 24.0 nM 543.66 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL432443 OBDepict CH 3 N H O O NH O N H O O CH 3 H 3 C Ki = 28.0 nM 495.62 CCCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL1921830 OBDepict O H N H O H NH O CH 3 CH 3 O H N H O O IC50 = 30.0 nM 523.63 CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccc(cc2)OCCCC[C@@H](C=O)NC1=O Homo sapiens CHEMBL1924666 single protein format
CHEMBL424074 OBDepict CH 3 NH O HN O O N H O O O CH 3 H 3 C Ki = 33.0 nM 457.53 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccco1 Homo sapiens CHEMBL658514 single protein format
CHEMBL98777 OBDepict CH 3 N H O NH O N H H O O H 3 C CH 3 Ki = 35.0 nM 439.56 CCNC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658509 assay format
CHEMBL420872 OBDepict CH 3 N H O O NH O N H O O H 3 C CH 3 Ki = 39.0 nM 467.57 CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL134002 OBDepict CH 3 NH O N H O O NH O O H 3 C CH 3 N O Ki = 41.0 nM 504.63 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Homo sapiens CHEMBL658514 single protein format
CHEMBL119622 OBDepict CH 3 NH O N H O O NH O O H 3 C CH 3 Ki = 43.0 nM 495.62 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL117888 OBDepict H 3 C NH O N H O O N H O O CH 3 H 3 C Ki = 44.0 nM 473.61 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1CCCCC1 Homo sapiens CHEMBL658515 single protein format
CHEMBL134173 OBDepict H 3 C O NH O O N H CH 3 O N H O O CH 3 H 3 C Ki = 46.0 nM 511.62 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(OC)cc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL419590 OBDepict CH 3 H 3 C NH HN O O O O NH O Ki = 46.0 nM 529.64 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL131540 OBDepict CH 3 NH O N H O O NH O O H 3 C CH 3 N H Ki = 50.0 nM 520.63 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1c[nH]c2ccccc12 Homo sapiens CHEMBL658514 single protein format
CHEMBL134179 OBDepict CH 3 CH 3 HN NH O O O O HN O OH Ki = 50.0 nM 559.66 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL444594 OBDepict H 3 C N H O O HN CH 3 O NH O O H 3 C CH 3 Ki = 50.0 nM 433.55 CCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL116477 OBDepict CH 3 HN O O NH O N H O O CH 3 H 3 C Ki = 50.0 nM 481.59 CCCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL133106 OBDepict HO NH O O HN CH 3 O NH O O H 3 C CH 3 Ki = 51.0 nM 463.58 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCCCO Homo sapiens CHEMBL658514 single protein format
CHEMBL116256 OBDepict CH 3 N H O HN O O HN H 3 C O O CH 3 H 3 C Ki = 59.0 nM 495.62 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(C)c1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL130753 OBDepict CH 3 HN O N H O O N H O O CH 3 CH 3 OH Ki = 60.0 nM 497.59 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccc(O)cc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL326290 OBDepict CH 3 NH O NH O O N H O O CH 3 H 3 C Ki = 63.0 nM 557.69 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL441280 OBDepict H 3 C CH 3 N H N H O O O O NH O CH 3 H 3 C Ki = 65.0 nM 495.62 CC(C)CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL131319 OBDepict CH 3 NH O HN O O N H O O O CH 3 H 3 C Ki = 66.0 nM 461.56 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1CCCO1 Homo sapiens CHEMBL658514 single protein format
CHEMBL116429 OBDepict CH 3 NH O O HN CH 3 O HN O O H 3 C CH 3 Ki = 67.0 nM 475.63 CCCCCCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL133634 OBDepict CH 3 N H O NH O O NH O O H 3 C CH 3 N N Ki = 68.0 nM 485.59 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCn1ccnc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL131781 OBDepict H 3 C N H O N H O O N H CH 3 O O H 3 C CH 3 OH H 3 C H 3 C Ki = 69.0 nM 531.69 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC1(C)CC(O)CC(C)(C)C1 Homo sapiens CHEMBL658514 single protein format
CHEMBL419898 OBDepict CH 3 HN NH O O H 3 C N H H O O H 3 C CH 3 Ki = 73.0 nM 391.51 CCCC(NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1)C(=O)NCC Homo sapiens CHEMBL658509 assay format
CHEMBL132773 OBDepict H 3 C N H O NH O O NH O O H 3 C CH 3 N CH 3 Ki = 76.0 nM 484.6 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccn1C Homo sapiens CHEMBL658514 single protein format
CHEMBL117840 OBDepict H 3 C N H O O NH 2 O NH O O CH 3 H 3 C Ki = 78.0 nM 391.47 CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(N)=O Homo sapiens CHEMBL658515 single protein format
CHEMBL134121 OBDepict OH N H O O N H H 3 C O HN O O CH 3 CH 3 Ki = 78.0 nM 421.49 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCO Homo sapiens CHEMBL658514 single protein format
CHEMBL36969 OBDepict CH 3 O N H H O OH O N H H O O IC50 = 79.6 nM 518.61 CCCCOc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)O)cc1 Homo sapiens CHEMBL658518 single protein format
CHEMBL131866 OBDepict CH 3 HN O NH O O CH 3 N H O O CH 3 CH 3 Ki = 83.0 nM 391.47 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NC Homo sapiens CHEMBL658514 single protein format
CHEMBL1921829 OBDepict O H N H O H NH O H 3 C CH 3 O H N H O O IC50 = 85.0 nM 509.6 CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccc(cc2)OCCCC[C@@H](C=O)NC1=O Homo sapiens CHEMBL1924666 single protein format
CHEMBL130338 OBDepict CH 3 O NH O O NH CH 3 O NH O O CH 3 H 3 C Ki = 86.0 nM 511.62 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1cccc(OC)c1 Homo sapiens CHEMBL658514 single protein format
CHEMBL116894 OBDepict H 3 C HN O HN O O N H CH 3 O O CH 3 CH 3 Ki = 88.0 nM 419.52 CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC Homo sapiens CHEMBL658515 single protein format
CHEMBL3142937 OBDepict CH 3 O O O N H H CH 3 O NH H O H 3 C CH 3 HN H O CH 3 CH 3 Ki = 90.0 nM 539.67 CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)c1ccc2ccccc2c1 Homo sapiens CHEMBL658515 single protein format
CHEMBL423704 OBDepict CH 3 N H O N H O O HN N O CH 3 H 3 C Ki = 90.0 nM 528.65 CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCc1ccccn1 Homo sapiens CHEMBL658514 single protein format
CHEMBL334744 OBDepict CH 3 O O N H H 3 C O O NH H 3 C O HN O O H 3 C CH 3 Ki = 100.0 nM 465.55 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(OC)OC Homo sapiens CHEMBL658514 single protein format
CHEMBL336649 OBDepict H 3 C HN O HN O O N H O O CH 3 CH 3 N O Ki = 100.0 nM 518.66 CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Homo sapiens CHEMBL658514 single protein format
CHEMBL36904 OBDepict CH 3 O HN H O HO O N H H O O IC50 = 104.0 nM 476.53 COc1ccc(C[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)O)cc1 Homo sapiens CHEMBL658518 single protein format
CHEMBL36801 OBDepict O NH O H N H O H O OH IC50 = 104.0 nM 446.5 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)OCc1ccccc1 Homo sapiens CHEMBL658517 single protein format
CHEMBL130580 OBDepict H 3 C NH O O N H H 3 C O HN O H 3 C CH 3 N Ki = 110.0 nM 426.52 CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1nccc2ccccc12 Homo sapiens CHEMBL658514 single protein format
CHEMBL132886 OBDepict CH 3 HN O N H O O N H O CH 3 CH 3 N O Ki = 110.0 nM 564.73 CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Homo sapiens CHEMBL658514 single protein format
CHEMBL421910 OBDepict CH 3 NH O NH O O N H HO O O CH 3 H 3 C Ki = 110.0 nM 547.65 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc2ccccc2c1 Homo sapiens CHEMBL658514 single protein format
CHEMBL134142 OBDepict H 3 C NH O N H O O N H O O CH 3 H 3 C N Ki = 110.0 nM 468.55 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccncc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL439798 OBDepict H 3 C NH O N H O O N H O O CH 3 H 3 C N Ki = 120.0 nM 468.55 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1cccnc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL132586 OBDepict H 3 C HN O HN O O N H N O O CH 3 CH 3 Ki = 120.0 nM 482.58 CCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1ccccn1 Homo sapiens CHEMBL658514 single protein format
CHEMBL335706 OBDepict H 3 C NH O O HN CH 3 O HN O CH 3 CH 3 Ki = 130.0 nM 403.52 CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)CCc1ccccc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL330186 OBDepict CH 3 NH O N H O N H H O O H 3 C CH 3 Ki = 138.0 nM 377.49 CCNC(=O)CCCNC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658510 assay format
CHEMBL115757 OBDepict CH 3 NH O HN O O NH CH 3 CH 3 O O H 3 C CH 3 Ki = 140.0 nM 433.55 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(C)C Homo sapiens CHEMBL658515 single protein format
CHEMBL133749 OBDepict CH 3 NH O O NH O N H O O H 3 C CH 3 Ki = 150.0 nM 453.54 CNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL422260 OBDepict H 3 C HN O HN O O N H N O O CH 3 CH 3 Ki = 150.0 nM 518.61 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCc1nccc2ccccc12 Homo sapiens CHEMBL658514 single protein format
CHEMBL130345 OBDepict CH 3 O O N H H 3 C O O HN CH 3 O N H O O CH 3 CH 3 Ki = 160.0 nM 493.6 CCOC(CNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)OCC Homo sapiens CHEMBL658514 single protein format
CHEMBL130756 OBDepict H 3 C N H O N H O O NH O O H 3 C CH 3 O H 3 C Ki = 160.0 nM 511.62 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCc1ccccc1OC Homo sapiens CHEMBL658514 single protein format
CHEMBL130107 OBDepict H 3 C N H O N H O O NH N O O H 3 C CH 3 O Ki = 160.0 nM 490.6 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCN1CCOCC1 Homo sapiens CHEMBL658514 single protein format
CHEMBL131264 OBDepict HO O NH O O HN CH 3 O NH O O H 3 C CH 3 Ki = 160.0 nM 465.55 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCOCCO Homo sapiens CHEMBL658514 single protein format
CHEMBL132987 OBDepict H 3 C HN O N H O O N H OH O O CH 3 CH 3 Ki = 170.0 nM 547.65 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc2ccccc12 Homo sapiens CHEMBL658514 single protein format
CHEMBL1921832 OBDepict O H N H O H NH O H 3 C CH 3 O H N H O O IC50 = 180.0 nM 537.66 CC(C)C[C@@H]1NC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccc(cc2)OCCCCC[C@@H](C=O)NC1=O Homo sapiens CHEMBL1924666 single protein format
CHEMBL130629 OBDepict H 3 C NH O NH O O N H HO O O CH 3 H 3 C F F F Ki = 180.0 nM 565.59 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cccc(C(F)(F)F)c1 Homo sapiens CHEMBL658514 single protein format
CHEMBL116358 OBDepict CH 3 N H O O O O NH H 3 C O O H 3 C CH 3 Ki = 180.0 nM 434.53 CCCCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)OCC Homo sapiens CHEMBL658515 single protein format
CHEMBL36146 OBDepict O NH O H N H O H O OH OH IC50 = 184.0 nM 462.5 O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)O)OCc1ccccc1 Homo sapiens CHEMBL658518 single protein format
CHEMBL177914 OBDepict O N H H O N H H OH O O IC50 = 184.0 nM 446.5 O=C[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658520 single protein format
CHEMBL3706738 OBDepict CH 3 NH O N H O O NH O O H 3 C CH 3 N Ki = 190.0 nM 550.7 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCc2ccccc2C1 Homo sapiens CHEMBL658514 single protein format
CHEMBL3706739 OBDepict CH 3 NH O N H O O NH O O H 3 C CH 3 N Ki = 200.0 nM 550.7 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCc2ccccc21 Homo sapiens CHEMBL658514 single protein format
CHEMBL117776 OBDepict H 3 C O O O N H H 3 C O HN O H 3 C CH 3 Ki = 200.0 nM 466.58 CCOC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL129831 OBDepict CH 3 N H O N H O O HN HO O O CH 3 H 3 C F F F F F Ki = 200.0 nM 587.54 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1c(F)c(F)c(F)c(F)c1F Homo sapiens CHEMBL658514 single protein format
CHEMBL132526 OBDepict CH 3 N H O N H O O HN HO O CH 3 H 3 C Ki = 200.0 nM 557.69 CCC(NC(=O)C(CC(C)C)NC(=O)C(c1ccccc1)c1ccccc1)C(=O)C(=O)NCC(O)c1ccccc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL325147 OBDepict H 3 C NH O O HN CH 3 O HN O O CH 3 CH 3 Ki = 210.0 nM 405.5 CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL130359 OBDepict CH 3 HN O HN O O N H OH O O CH 3 CH 3 O O CH 3 O CH 3 CH 3 Ki = 220.0 nM 587.67 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1cc(OC)c(OC)c(OC)c1 Homo sapiens CHEMBL658514 single protein format
CHEMBL130215 OBDepict CH 3 HN O O NH CH 3 O NH O H 3 C CH 3 Ki = 250.0 nM 439.56 CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)Cc1cccc2ccccc12 Homo sapiens CHEMBL658514 single protein format
CHEMBL116863 OBDepict H 3 C NH O O N H H 3 C O HN O O CH 3 CH 3 Ki = 250.0 nM 419.52 CCCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL3142935 OBDepict H 3 C O O O N H H H 3 C O N H H O CH 3 H 3 C HN H S O O H 3 C CH 3 CH 3 Ki = 260.0 nM 539.7 CCOC(=O)C(=O)[C@H](CC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NS(=O)(=O)c1ccc(C)cc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL129933 OBDepict CH 3 H 3 C NH HN O O O O NH O N Ki = 270.0 nM 530.63 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 Homo sapiens CHEMBL658514 single protein format
CHEMBL134508 OBDepict CH 3 N H O NH O O NH O O H 3 C CH 3 N Ki = 270.0 nM 488.63 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCCCN1CCCC1 Homo sapiens CHEMBL658514 single protein format
CHEMBL1921825 OBDepict O H HN O H HN O H 3 C H 3 C O H HN S O O F IC50 = 280.0 nM 533.62 CC(C)[C@@H]1NC(=O)[C@@H](NS(=O)(=O)c2ccc(F)cc2)Cc2ccc(cc2)OCCCC[C@@H](C=O)NC1=O Homo sapiens CHEMBL1924666 single protein format
CHEMBL131002 OBDepict CH 3 N H O N H O O NH OH O O H 3 C CH 3 O Ki = 290.0 nM 589.69 CCC(NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1)C(=O)C(=O)NCC(O)c1ccc(Oc2ccccc2)cc1 Homo sapiens CHEMBL658514 single protein format
CHEMBL1921834 OBDepict O H N H S O H NH H 3 C CH 3 O O H N H O O IC50 = 295.0 nM 555.7 CC(C)[C@@H]1NC(=O)[C@@H](NC(=O)OCc2ccccc2)Cc2ccc(cc2)OCCCCSC[C@@H](C=O)NC1=O Homo sapiens CHEMBL1924666 single protein format
CHEMBL131707 OBDepict H 3 C NH O O HN CH 3 O HN O CH 3 CH 3 N Ki = 300.0 nM 426.52 CCNC(=O)C(=O)C(CC)NC(=O)C(CC(C)C)NC(=O)c1ccc2ccccc2n1 Homo sapiens CHEMBL658514 single protein format
CHEMBL335291 OBDepict CH 3 H 3 C NH HN O O O O NH O N O Ki = 330.0 nM 566.7 CC(C)CC(NC(=O)OCc1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCCCN1CCOCC1 Homo sapiens CHEMBL658514 single protein format
CHEMBL423112 OBDepict O NH O NH H CH 3 CH 3 O O IC50 = 350.0 nM 382.46 CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)NC(C=O)Cc1ccccc1 Homo sapiens CHEMBL1012294 single protein format
CHEMBL129492 OBDepict CH 3 CH 3 N H N H O O O HN O N Ki = 360.0 nM 590.72 CC(C)CC(NC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC(Cc1ccccc1)C(=O)C(=O)NCc1ccccn1 Homo sapiens CHEMBL658514 single protein format
CHEMBL366254 OBDepict HS O OH I Ki = 370.0 nM 306.12 O=C(O)/C(S)=C/c1ccc(I)cc1 Homo sapiens CHEMBL3224722 single protein format
CHEMBL411658 OBDepict CH 3 O O O NH O N H O O H 3 C CH 3 Ki = 400.0 nM 468.55 CCOC(=O)C(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format
CHEMBL117232 OBDepict CH 3 O O O NH O N H Cl O O H 3 C CH 3 Ki = 400.0 nM 503.0 CCOC(=O)C(=O)C(Cc1ccc(Cl)cc1)NC(=O)C(CC(C)C)NC(=O)OCc1ccccc1 Homo sapiens CHEMBL658515 single protein format