3D structures mapped by conservation among orthologs

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

 PyMOL session

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

 PyMOL session

[ Domain: "EGF/Laminin" // hEGF_3 ]

 PyMOL session

[ Domain: "EGF/Laminin" // hEGF_1 ]

 PyMOL session

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

 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
CHEMBL192738		IC50	=	1.7	nM	532.65	CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(=N)N)cc2)c1	Homo sapiens	CHEMBL827832	single protein format
CHEMBL4469752		IC50	=	4.7	nM	456.96	COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(Cl)cc2)c1	Homo sapiens	CHEMBL4383873	single protein format
CHEMBL2417904		IC50	=	5.0	nM	533.59	COc1ccc(-c2ccc(C(=O)N[C@H](CO)C(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL371815		IC50	=	6.2	nM	575.67	CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(=N)N)cc2C(N)=O)c1	Homo sapiens	CHEMBL827832	single protein format
CHEMBL2417906		IC50	=	7.0	nM	557.61	COc1ccc(-c2ccc(C(=O)N[C@H](CO)C(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3c(N)nccc3c2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL2417903		IC50	=	9.0	nM	540.62	CCNc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3c(N)nccc3c2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL4469308		IC50	=	11.0	nM	437.53	COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(C)cn2)c1	Homo sapiens	CHEMBL4383873	single protein format
CHEMBL2417893		IC50	=	11.0	nM	541.61	CCOc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3c(N)nccc3c2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL2417905		IC50	=	11.0	nM	503.56	COc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc(C(=N)N)cc2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL4441346		IC50	=	12.0	nM	457.94	COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(Cl)cn2)c1	Homo sapiens	CHEMBL4383873	single protein format
CHEMBL2417894		IC50	=	12.5	nM	555.64	CCCOc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3c(N)nccc3c2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL2417907		IC50	=	13.0	nM	527.58	COc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3c(N)nccc3c2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL77076		IC50	=	16.0	nM	511.97	CC(C)Nc1nc(Cl)c(-c2cc(N)cc(C(=O)O)c2)n(CC(=O)NCc2ccc(C(=N)N)cc2)c1=O	Homo sapiens	CHEMBL5127315	single protein format
CHEMBL390662		IC50	=	20.0	nM	437.93	Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCc2ccccc2)c1	Homo sapiens	CHEMBL888563	single protein format
CHEMBL2417911		IC50	=	23.0	nM	523.59	C=Cc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3c(N)nccc3c2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL2417896		IC50	=	34.0	nM	553.62	C=CCOc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3c(N)nccc3c2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL390663		IC50	=	40.0	nM	497.96	N=C(N)c1ccc(CNC(=O)Cn2c(-c3cccc(N)c3)c(Cl)nc(NC3CCC3)c2=O)c(F)c1	Homo sapiens	CHEMBL888563	single protein format
CHEMBL2417902		IC50	=	51.0	nM	526.6	CNc1ccc(-c2ccc(C(=O)NCC(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3c(N)nccc3c2)n1	Homo sapiens	CHEMBL2421099	single protein format
CHEMBL253991		IC50	=	52.0	nM	448.53	CC(C)Nc1ncc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(C(=N)N)cc2)c1=O	Homo sapiens	CHEMBL926650	single protein format
CHEMBL142205		IC50	=	52.0	nM	447.54	CC(C)Nc1ccc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(C(=N)N)cc2)c1=O	Homo sapiens	CHEMBL884342	single protein format