3D structures mapped by conservation among orthologs

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

 PyMOL session

[ Domain: "Kringle-like" // Kringle ]

 PyMOL session

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

 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
CHEMBL104166		IC50	=	0.62	nM	411.47	N=C(N)c1ccc2cc(C(=O)Nc3ccc(CN)cc3)cc(Nc3ncccn3)c2c1	Homo sapiens	CHEMBL4200656	single protein format
CHEMBL393591		IC50	=	3.1	nM	468.45	COC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1	Homo sapiens	CHEMBL902744	single protein format
CHEMBL367004		IC50	=	3.1	nM	598.6	C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)CCc1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O.O=C(O)C(F)(F)F	Homo sapiens	CHEMBL816999	single protein format
CHEMBL393979		IC50	=	3.4	nM	582.55	COC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccc(NC(C)=O)cc1)Oc1ccc(NC(C)=O)cc1	Homo sapiens	CHEMBL902744	single protein format
CHEMBL176515		IC50	=	5.1	nM	470.55	C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)Cc1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O	Homo sapiens	CHEMBL816999	single protein format
CHEMBL238493		IC50	=	6.6	nM	488.51	CS(=O)(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1	Homo sapiens	CHEMBL902744	single protein format
CHEMBL239535		IC50	=	7.0	nM	544.55	N=C(N)Nc1ccc(CC(NC(=O)OCc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1	Homo sapiens	CHEMBL902744	single protein format
CHEMBL239747		IC50	=	7.2	nM	452.45	CC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1	Homo sapiens	CHEMBL902744	single protein format
CHEMBL238491		IC50	=	7.7	nM	564.6	N=C(N)Nc1ccc(CC(NS(=O)(=O)Cc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1	Homo sapiens	CHEMBL902744	single protein format
CHEMBL3770794		IC50	=	7.9	nM	395.4	N=C(N)Nc1ccc(CCP(=O)(Oc2ccccc2)Oc2ccccc2)cc1	Homo sapiens	CHEMBL3772680	single protein format
CHEMBL239536		IC50	=	8.0	nM	482.48	CCOC(=O)NC(Cc1ccc(NC(=N)N)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1	Homo sapiens	CHEMBL902744	single protein format
CHEMBL366964		IC50	=	10.3	nM	570.55	C[C@H](NC(=O)[C@@H](CO)NS(=O)(=O)c1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O.O=C(O)C(F)(F)F	Homo sapiens	CHEMBL816999	single protein format
CHEMBL366666		IC50	=	11.0	nM	462.51	N=C(N)N1CCC[C@H](NC(=O)C2CCN2C(=O)[C@@H](CO)NC(=O)OCc2ccccc2)C1O	Homo sapiens	CHEMBL816999	single protein format
CHEMBL369042		IC50	=	12.4	nM	476.53	N=C(N)N1CCCC(NC(=O)[C@H]2CCCN2C(=O)C(CO)NC(=O)OCc2ccccc2)C1O	Homo sapiens	CHEMBL816999	single protein format
CHEMBL571837		IC50	=	15.0	nM	589.64	Cc1ccc(C(=O)O)c(Oc2nc(Oc3cc(N)cc(-c4cccc(CN)c4)c3)c(F)c(N3CCC(N(C)C)C3)c2F)c1	Homo sapiens	CHEMBL1042862	single protein format
CHEMBL177557		IC50	=	19.0	nM	450.5	C[C@H](NC(=O)[C@@H](CO)NC(=O)OCc1ccccc1)C(=O)N[C@H]1CCCN(C(=N)N)C1O	Homo sapiens	CHEMBL816999	single protein format
CHEMBL252937		IC50	=	20.0	nM	477.54	N=C(N)c1ccc(CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NS(=O)(=O)Cc2ccccc2)cc1	Homo sapiens	CHEMBL927669	single protein format
CHEMBL571566		IC50	=	23.0	nM	478.45	Cc1ccc(C(=O)O)c(Oc2nc(Oc3cc(O)cc(-c4cccc(CN)c4)c3)c(F)cc2F)c1	Homo sapiens	CHEMBL1042862	single protein format
CHEMBL4291446		IC50	=	23.0	nM	472.49	COc1cc(Oc2nc(O[C@@H](C(=O)O)C(C)(C)C)c(F)cc2F)cc(-c2cccc(CN)c2)c1	Homo sapiens	CHEMBL4267485	single protein format
CHEMBL174813		IC50	=	23.1	nM	530.5	CC(C)COC(=O)N[C@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H]1CCCN(C(=N)N)C1O.O=C(O)C(F)(F)F	Homo sapiens	CHEMBL816999	single protein format