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 ]

 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
CHEMBL211973		IC50	=	100.0	nM	519.65	N=C(N)c1ccc(CNC(=O)C2(NC(=O)[C@@H](CC3CCCCC3)NCC(=O)O)Cc3ccccc3C2)cc1	Homo sapiens	CHEMBL870370	single protein format
CHEMBL3115901		IC50	=	130.0	nM	522.65	N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1	Homo sapiens	CHEMBL3119480	single protein format
CHEMBL215639		IC50	=	250.0	nM	515.61	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(C(=O)NCc2ccc(C(=N)N)cc2)Cc2ccc3ccccc3c2C1	Homo sapiens	CHEMBL870370	single protein format
CHEMBL3115900		IC50	=	260.0	nM	523.63	N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1	Homo sapiens	CHEMBL3119480	single protein format
CHEMBL425613		IC50	=	350.0	nM	479.58	CC(C)[C@@H](NCC(=O)O)C(=O)N[C@H](C(=O)NCc1ccc(C(=N)N)cc1)C1Cc2ccccc2C1	Homo sapiens	CHEMBL870370	single protein format
CHEMBL215357		IC50	=	430.0	nM	515.61	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(C(=O)NCc2ccc(C(=N)N)cc2)Cc2cccc3cccc(c23)C1	Homo sapiens	CHEMBL870370	single protein format
CHEMBL3115904		IC50	=	470.0	nM	516.65	N=C(N)NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)NCc1ccc(C(=N)N)cc1	Homo sapiens	CHEMBL3119480	single protein format
CHEMBL3115897		IC50	=	670.0	nM	507.64	N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1	Homo sapiens	CHEMBL3119480	single protein format
CHEMBL212789		IC50	=	710.0	nM	453.54	CC(C)[C@@H](NCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C(=N)N)cc1	Homo sapiens	CHEMBL870370	single protein format
CHEMBL380157		IC50	=	750.0	nM	479.58	CC(C)C[C@@H](NCC(=O)O)C(=O)NC1(C(=O)NCc2ccc(C(=N)N)cc2)Cc2ccccc2C1	Homo sapiens	CHEMBL870370	single protein format
CHEMBL426333		IC50	=	800.0	nM	465.55	CC(C)[C@@H](NCC(=O)O)C(=O)NC1(C(=O)NCc2ccc(C(=N)N)cc2)Cc2ccccc2C1	Homo sapiens	CHEMBL870370	single protein format
CHEMBL215295		IC50	=	820.0	nM	505.62	N=C(N)c1ccc(CNC(=O)C2(NC(=O)[C@H](NCC(=O)O)C3CCCCC3)Cc3ccccc3C2)cc1	Homo sapiens	CHEMBL870370	single protein format
CHEMBL3115894		IC50	=	920.0	nM	528.7	N=C(N)c1ccc(CNC(=O)C(CCC2CCNCC2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1	Homo sapiens	CHEMBL3119480	single protein format
CHEMBL3115899		IC50	=	980.0	nM	557.7	N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc3ccccc3c2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1	Homo sapiens	CHEMBL3119480	single protein format
CHEMBL4638245		Ki	=	1.9	nM	595.05	COC(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)CCC[C@H](N1CCC(c3c(F)ccc(Cl)c3F)=CC1=O)c1cc-2ccn1	Homo sapiens	CHEMBL4618305	single protein format
CHEMBL3115901		Ki	=	40.0	nM	522.65	N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc(N)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1	Homo sapiens	CHEMBL3119469	single protein format
CHEMBL3594313		Ki	=	41.0	nM	533.65	CCS(=O)(=O)c1ccc2cc1CNC(=O)[C@H](Nc1ccc(C(=N)N)cc1)c1ccc(cc1)CCCC(=O)N2	Homo sapiens	CHEMBL3595071	single protein format
CHEMBL3115900		Ki	=	100.0	nM	523.63	N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1	Homo sapiens	CHEMBL3119469	single protein format
CHEMBL3115904		Ki	=	100.0	nM	516.65	N=C(N)NCCC[C@H](NC(=O)[C@@H](CC1CCCCC1)NCC(=O)O)C(=O)NCc1ccc(C(=N)N)cc1	Homo sapiens	CHEMBL3119469	single protein format
CHEMBL3115897		Ki	=	200.0	nM	507.64	N=C(N)c1ccc(CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cc1	Homo sapiens	CHEMBL3119469	single protein format