3D structures mapped by conservation among orthologs

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

 PyMOL session

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

 PyMOL session

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

 PyMOL session

[ Domain: "GLA-domain" // Gla_1 ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL440733		IC50	=	0.008	nM	473.56	Cc1cc(C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2)n(-c2cccc(C(=N)N)c2)n1	Homo sapiens	CHEMBL3222888	single protein format
CHEMBL507020		IC50	=	0.01	nM	569.69	CC(C)CNC(=O)c1ccc(-c2ccc(-c3cscc3CN)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL475682		IC50	=	0.02	nM	564.43	O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccccc2Cl)CN1C(=O)Nc1ccc(Cl)cc1	Homo sapiens	CHEMBL956028	single protein format
CHEMBL507279		IC50	=	0.02	nM	554.6	CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccoc3CO)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL505190		IC50	=	0.04	nM	540.65	CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccsc3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL154512		IC50	=	0.04	nM	463.46	Cc1cc(C(=O)Nc2ccc(-c3ccccc3C(F)(F)F)cc2)n(-c2cccc(C(=N)N)c2)n1	Homo sapiens	CHEMBL3222888	single protein format
CHEMBL506772		IC50	=	0.05	nM	523.59	CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccc[nH]3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL527118		IC50	=	0.05	nM	537.62	CC(C)CNC(=O)c1ccc(-c2ccc(-c3cccn3C)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL451066		IC50	=	0.05	nM	595.68	CC(C)CNC(=O)c1ccc(-c2ccc(-c3cscc3CN=[N+]=[N-])cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL476618		IC50	=	0.05	nM	527.0	CCO[C@]1(CC)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1	Homo sapiens	CHEMBL956028	single protein format
CHEMBL474271		IC50	=	0.08	nM	565.96	O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccc(F)c(F)c2)CN1C(=O)Nc1ccc(Cl)cc1	Homo sapiens	CHEMBL956028	single protein format
CHEMBL515107		IC50	=	0.08	nM	546.99	O=C(Nc1ccc(-n2ccccc2=O)cc1F)[C@H]1C[C@](O)(c2ccccc2)CN1C(=O)Nc1ccc(Cl)cc1	Homo sapiens	CHEMBL956028	single protein format
CHEMBL474678		IC50	=	0.1	nM	565.96	O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccc(F)cc2F)CN1C(=O)Nc1ccc(Cl)cc1	Homo sapiens	CHEMBL956028	single protein format
CHEMBL514510		IC50	=	0.11	nM	544.01	Cc1ccccc1[C@@]1(O)C[C@H](C(=O)Nc2ccc(-n3ccccc3=O)cn2)N(C(=O)Nc2ccc(Cl)cc2)C1	Homo sapiens	CHEMBL956028	single protein format
CHEMBL506771		IC50	=	0.12	nM	524.58	CC(C)CNC(=O)c1ccc(-c2ccc(-c3ccoc3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL502293		IC50	=	0.13	nM	570.67	CC(C)CNC(=O)c1ccc(-c2ccc(-c3cscc3CO)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL503584		IC50	=	0.15	nM	554.6	CC(C)CNC(=O)c1ccc(-c2ccc(-c3occc3CO)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL505189		IC50	=	0.15	nM	540.65	CC(C)CNC(=O)c1ccc(-c2ccc(-c3cccs3)cc2C(=O)Nc2ccc(C(=N)N)cc2)c(C(=O)O)c1	Homo sapiens	CHEMBL1035204	single protein format
CHEMBL474070		IC50	=	0.16	nM	547.97	O=C(Nc1ccc(-n2ccccc2=O)cn1)[C@H]1C[C@](O)(c2ccc(F)cc2)CN1C(=O)Nc1ccc(Cl)cc1	Homo sapiens	CHEMBL956028	single protein format
CHEMBL1229814		IC50	=	0.16	nM	546.02	CO[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ccccc3S(C)(=O)=O)cc2F)N(C(=O)Nc2ccc(Cl)cc2)C1	Homo sapiens	CHEMBL1273257	single protein format