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 ]

 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
CHEMBL3774670		IC50	=	1.86	nM	539.4	Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3ccc(O)c(F)c3)c3ccc4[nH]c(C)nc4c3)c(Cl)c2)n1	Homo sapiens	CHEMBL3778013	single protein format
CHEMBL4096341		IC50	=	4.9	nM	484.35	Cc1ncn(-c2ccc(C(=O)N[C@H]3[C@H]4CC[C@H]3N(c3ncc(Cl)c5cnoc35)C4)c(Cl)c2)n1	Homo sapiens	CHEMBL4018088	single protein format
CHEMBL3627897		IC50	=	9.99	nM	523.4	Cc1ncn(-c2cc(Cl)c(C(=O)NC[C@@H](c3cccc(F)c3)c3ccc4[nH]c(C)nc4c3)c(Cl)c2)n1	Homo sapiens	CHEMBL3778013	single protein format
CHEMBL3658391		IC50	=	10.0	nM	522.58	CS(=O)(=O)c1ccccc1-c1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc(C(=N)N)cc3)C2=O)cc1	Homo sapiens	CHEMBL3705750	single protein format
CHEMBL3774998		IC50	=	11.0	nM	539.4	Cc1nc2cc([C@@H](CNC(=O)c3c(Cl)cc(-n4cnc(CO)n4)cc3Cl)c3cccc(F)c3)ccc2[nH]1	Homo sapiens	CHEMBL3778013	single protein format
CHEMBL2417908		IC50	=	13.0	nM	546.58	COc1ccc(-c2ccc(C(=O)N[C@H](CO)C(C)(C)C)cc2C(=O)O)c(C(=O)Nc2ccc3nc(N)[nH]c3c2)n1	Homo sapiens	CHEMBL2421098	single protein format
CHEMBL4066380		IC50	=	13.0	nM	509.36	Nc1noc2c(N3CC[C@@H](NC(=O)c4ccc(-n5cnc6ncccc65)cc4Cl)C3)ncc(Cl)c12	Homo sapiens	CHEMBL4018088	single protein format
CHEMBL4092982		IC50	=	13.0	nM	502.36	Nc1noc2c(N3CC[C@@H](NC(=O)c4ccc(-n5cnc(CCO)c5)cc4Cl)C3)ncc(Cl)c12	Homo sapiens	CHEMBL4018088	single protein format
CHEMBL3658395		IC50	=	13.0	nM	511.51	N=C1NCc2cc(NC(=O)C(O)[C@H]3OCCN(c4ccc(F)c(C(=O)N5CCOCC5)c4)C3=O)ccc21	Homo sapiens	CHEMBL3705750	single protein format
CHEMBL4069082		IC50	=	15.0	nM	489.32	Cn1ncn(-c2ccc(C(=O)N[C@@H]3CCN(c4ncc(Cl)c5c(N)noc45)C3)c(Cl)c2)c1=O	Homo sapiens	CHEMBL4018088	single protein format
CHEMBL4095415		IC50	=	18.0	nM	499.36	Cn1cc(-c2ccc(C(=O)N[C@@H]3CCN(c4ncc(Cl)c5c(N)noc45)C3)c(Cl)c2)ccc1=O	Homo sapiens	CHEMBL4018088	single protein format
CHEMBL4090664		IC50	=	18.0	nM	458.31	Nc1noc2c(N3CCC(NC(=O)c4ccc(-n5cnnc5)cc4Cl)C3)cc(Cl)cc12	Homo sapiens	CHEMBL4018088	single protein format
CHEMBL3658386		IC50	=	20.0	nM	406.44	Cc1ccc(N2CCO[C@H]([C@@H](O)C(=O)Nc3ccc4c(N)nccc4c3)C2=O)cc1	Homo sapiens	CHEMBL3705750	single protein format
CHEMBL3658389		IC50	=	20.0	nM	450.54	N=C(N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3ccc(C4CCCCC4)cc3)C2=O)cc1	Homo sapiens	CHEMBL3705750	single protein format
CHEMBL3658385		IC50	=	20.0	nM	441.44	N=C(N)c1ccc(NC(=O)[C@H](O)[C@H]2OCCN(c3cccc(NC(=O)CO)c3)C2=O)cc1	Homo sapiens	CHEMBL3705750	single protein format
CHEMBL4101793		IC50	=	26.0	nM	470.32	Nc1noc2c(N3CC[C@@H](NC(=O)c4ccc(-c5cncnc5)cc4Cl)C3)ncc(Cl)c12	Homo sapiens	CHEMBL4018088	single protein format
CHEMBL4469752		IC50	=	26.0	nM	456.96	COc1ccc(NC(=O)c2nc3c(s2)CN(C)CC3)c(C(=O)Nc2ccc(Cl)cc2)c1	Homo sapiens	CHEMBL4383864	single protein format
CHEMBL4648414		IC50	=	26.0	nM	331.38	Cc1ccc(-c2ncnc(Nc3ccc4c(c3)CNC4=N)c2O)cc1	Homo sapiens	CHEMBL4624394	single protein format
CHEMBL3658390		IC50	=	30.0	nM	382.42	Cc1ccc(N2CCOC(C(O)C(=O)Nc3ccc(C(=N)N)cc3)C2=O)cc1	Homo sapiens	CHEMBL3705750	single protein format
CHEMBL4643810		IC50	=	30.0	nM	353.81	Cc1ccc(-c2ncnc(Nc3ccc(C(=N)N)cc3Cl)c2O)cc1	Homo sapiens	CHEMBL4624394	single protein format