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P00748 | FA12_HUMAN | Coagulation factor XII (F12)

3D structures mapped by conservation among orthologs

[ Domain: "FMN-binding split barrel 2" // Trypsin_1 ]

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[ Domain: "EGF/Laminin" // hEGF_6 ]

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[ Domain: "Fibronectin type I module" // fn1_1 ]

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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
CHEMBL114586 OBDepict O O N H NH N NH NH 2 Ki = 21.0 nM 373.42 N=C(N)c1ccc2cc(OC(=O)c3ccc(NC4=NCCN4)cc3)ccc2c1 Homo sapiens CHEMBL4710306 single protein format
CHEMBL4776259 OBDepict NH 2 N N N O N IC50 = 29.0 nM 315.34 Nc1nc(-c2ccccn2)nn1C(=O)c1cccc2ccccc12 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4786270 OBDepict I N O N NH 2 N N IC50 = 62.0 nM 405.2 Nc1nc(-c2ccccn2)nn1C(=O)Cc1ccccc1I Homo sapiens CHEMBL4676505 single protein format
CHEMBL4777212 OBDepict CH 3 CH 3 N O N NH 2 N N IC50 = 91.0 nM 293.33 Cc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1C Homo sapiens CHEMBL4676505 single protein format
CHEMBL4783236 OBDepict CH 3 N O N NH 2 N N IC50 = 93.0 nM 279.3 Cc1cccc(C(=O)n2nc(-c3ccccn3)nc2N)c1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL273264 OBDepict NH 2 HN NH O O NH H 2 N Ki = 105.0 nM 347.38 N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 Homo sapiens CHEMBL4710304 single protein format
CHEMBL4746556 OBDepict O N H N N H N N IC50 = 106.0 nM 265.28 O=C(Nc1nc(-c2ccncc2)n[nH]1)c1ccccc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4761275 OBDepict O N H N O N NH 2 N N IC50 = 109.0 nM 384.4 Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)c2ccccc2)cc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4748137 OBDepict H N N N H N N O IC50 = 132.0 nM 265.28 O=C(Nc1nc(-c2ccccn2)n[nH]1)c1ccccc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4760132 OBDepict H 2 N N N N O N H IC50 = 134.0 nM 319.37 Nc1nc(-c2ccccn2)nn1C(=O)[C@H]1CCCc2ccccc21 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4754247 OBDepict NH 2 N N N O N IC50 = 138.0 nM 315.34 Nc1nc(-c2ccccn2)nn1C(=O)c1ccc2ccccc2c1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4749147 OBDepict O N H F F F N O N H 2 N N N IC50 = 142.0 nM 376.3 Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(NC(=O)C(F)(F)F)cc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4207969 OBDepict CH 3 O O H 3 C N O N NH 2 N N IC50 = 160.0 nM 325.33 COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1OC Homo sapiens CHEMBL4193988 single protein format
CHEMBL4750895 OBDepict H 3 C N O N NH 2 N N IC50 = 162.0 nM 293.33 CCc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL521527 OBDepict Cl O N H H O NH H N H O NH H 2 N H N H IC50 = 180.0 nM 450.97 N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H]1CCCN1)C(=O)CCl Homo sapiens CHEMBL1005173 single protein format
CHEMBL4740475 OBDepict O N N H 2 N N N IC50 = 210.0 nM 279.3 Nc1nc(-c2ccccn2)nn1C(=O)Cc1ccccc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL307440 OBDepict Cl O NH H O H N N H O HN NH 2 H 2 N H Ki = 230.0 nM 450.97 N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)CCl Homo sapiens CHEMBL4710302 single protein format
CHEMBL4646710 OBDepict CH 3 H 3 C H HN H N O H H 3 C HO N H O NH 2 N IC50 = 241.0 nM 495.67 CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@](C)(O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 Homo sapiens CHEMBL4623474 single protein format
CHEMBL4786773 OBDepict H 3 C O N O N NH 2 N N IC50 = 291.0 nM 295.3 COc1ccc(C(=O)n2nc(-c3ccccn3)nc2N)cc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4797183 OBDepict O N H N N H N N IC50 = 298.0 nM 265.28 O=C(Nc1nc(-c2cccnc2)n[nH]1)c1ccccc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4754712 OBDepict F N O N NH 2 N N IC50 = 306.0 nM 283.27 Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(F)cc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4640835 OBDepict CH 3 H 3 C H HN H N O H H HO N H O NH 2 N IC50 = 341.0 nM 481.64 CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@@H](O)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 Homo sapiens CHEMBL4623474 single protein format
CHEMBL4216765 OBDepict H 3 C O N O N NH 2 N N IC50 = 400.0 nM 295.3 COc1ccc(C(=O)n2nc(-c3cccnc3)nc2N)cc1 Homo sapiens CHEMBL4193988 single protein format
CHEMBL4634303 OBDepict H 3 C CH 3 H NH H N O H OH N H O CH 3 H 2 N N IC50 = 426.0 nM 509.7 CC[C@@H](C)[C@@H](NC1CCCCC1)C(=O)N1C[C@](O)(CC)C[C@H]1C(=O)NCc1ccc2c(N)nccc2c1 Homo sapiens CHEMBL4623474 single protein format
CHEMBL490551 OBDepict CH 3 O O H 3 C N O N NH 2 N O IC50 = 430.0 nM 314.3 COc1ccc(C(=O)n2nc(-c3ccco3)nc2N)cc1OC Homo sapiens CHEMBL4193989 single protein format
CHEMBL1464269 OBDepict Cl N O N NH 2 N N IC50 = 490.0 nM 299.72 Nc1nc(-c2cccnc2)nn1C(=O)c1ccc(Cl)cc1 Homo sapiens CHEMBL4193988 single protein format
CHEMBL2151128 OBDepict O N H N N H N IC50 = 539.0 nM 264.29 O=C(Nc1nc(-c2ccccc2)n[nH]1)c1ccccc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4208307 OBDepict NH 2 N N N O N IC50 = 600.0 nM 265.28 Nc1nc(-c2cccnc2)nn1C(=O)c1ccccc1 Homo sapiens CHEMBL4193989 single protein format
CHEMBL4217303 OBDepict Br N O N N IC50 = 600.0 nM 302.13 O=C(c1ccc(Br)cc1)n1nnc2ccccc21 Homo sapiens CHEMBL4193988 single protein format
CHEMBL4780154 OBDepict O N H O N N H N N IC50 = 617.0 nM 281.28 O=C(Nc1nc(-c2ccccn2)n[nH]1)Oc1ccccc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL1575426 OBDepict CH 3 O N O N NH 2 N N IC50 = 680.0 nM 295.3 COc1ccccc1C(=O)n1nc(-c2cccnc2)nc1N Homo sapiens CHEMBL4193988 single protein format
CHEMBL4781896 OBDepict Br N O N NH 2 N N IC50 = 793.0 nM 344.17 Nc1nc(-c2ccccn2)nn1C(=O)c1ccc(Br)cc1 Homo sapiens CHEMBL4676505 single protein format
CHEMBL4764774 OBDepict NH 2 N N N O N O IC50 = 968.0 nM 255.24 Nc1nc(-c2ccccn2)nn1C(=O)c1ccco1 Homo sapiens CHEMBL4676505 single protein format