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" // hEGF_3 ]

 PyMOL session

[ Domain: "Fibronectin type I module" // fn1_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
CHEMBL105819		IC50	=	0.7	nM	555.64	CC(O)[C@@H](C(=O)N[C@H](C)c1ccccc1)N(C)C(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)CCCN=C(N)N	Homo sapiens	CHEMBL847118	single protein format
CHEMBL273196		IC50	=	34.0	nM	416.53	CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N	Homo sapiens	CHEMBL815715	single protein format
CHEMBL208140		IC50	=	70.0	nM	461.59	N=C(N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)s1	Homo sapiens	CHEMBL865716	single protein format
CHEMBL27852		IC50	=	93.0	nM	547.73	N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCC2CC[C@@](N)(Cc3ccccc3)CN21)C(=O)c1nc2ccccc2s1	Homo sapiens	CHEMBL815708	single protein format
CHEMBL206205		IC50	=	125.0	nM	445.52	N=C(N)c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)c1	Homo sapiens	CHEMBL865716	single protein format
CHEMBL355376		IC50	=	150.0	nM	572.67	N=C(N)NCCCC(NC(=O)CN1CCN(S(=O)(=O)c2cccc3cccnc23)CC1=O)C(=O)c1nccs1	Homo sapiens	CHEMBL813531	single protein format
CHEMBL381709		IC50	=	173.0	nM	462.58	N=C(N)c1csc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)n1	Homo sapiens	CHEMBL865716	single protein format
CHEMBL116137		IC50	=	390.0	nM	538.44	O=c1[nH]c(=O)n(C(CCc2ccc(OCc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)c2ccccc2)o1	Homo sapiens	CHEMBL812494	single protein format
CHEMBL4281179		IC50	=	470.0	nM	456.49	Cc1cc(Oc2nc(O[C@@H](C(=O)O)C(C)(C)C)c(F)cc2F)cc(-c2cccc(CN)c2)c1	Homo sapiens	CHEMBL4267486	single protein format
CHEMBL282830		IC50	=	495.0	nM	548.72	N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCN2CC[C@@](N)(Cc3ccccc3)CN12)C(=O)c1nc2ccccc2s1	Homo sapiens	CHEMBL815708	single protein format
CHEMBL377681		IC50	=	540.0	nM	456.55	N=C(N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(=O)O)cn1	Homo sapiens	CHEMBL865716	single protein format
CHEMBL115982		IC50	=	680.0	nM	436.89	O=c1[nH]c(=O)n(C(CCc2ccc(OCc3cccc(Cl)c3)cc2)c2ccccc2)o1	Homo sapiens	CHEMBL812494	single protein format
CHEMBL207981		IC50	=	687.0	nM	475.62	Cc1cc(CNC(=O)[C@@H]2C=CCN2C(=O)C(CC2CCCCC2)NCC(=O)O)sc1C(=N)N	Homo sapiens	CHEMBL865716	single protein format
CHEMBL141584		IC50	=	900.0	nM	504.59	CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)C(=O)O	Homo sapiens	CHEMBL812493	single protein format
CHEMBL104472		IC50	=	950.0	nM	502.62	CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N	Homo sapiens	CHEMBL812493	single protein format
CHEMBL439678		Ki	=	0.29	nM	370.88	Clc1cccc(Cc2nc3c(NCCC4CCCCN4)nccc3o2)c1	Homo sapiens	CHEMBL884761	single protein format
CHEMBL92615		Ki	=	3.0	nM	558.51	CN1CCCCCOc2ccc(Cl)cc2CNC(=O)Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)C1	Homo sapiens	CHEMBL808464	single protein format
CHEMBL290376		Ki	=	5.7	nM	460.34	CC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN=C(N)N)B(O)O	Homo sapiens	CHEMBL847428	single protein format
CHEMBL94952		Ki	=	6.0	nM	572.45	O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNC(=O)OC/C=C\COc2ccc(Cl)cc2CN1	Homo sapiens	CHEMBL808464	single protein format
CHEMBL418965		Ki	=	6.0	nM	544.48	O=C1Cn2c(Cl)cnc(c2=O)N[C@@H](Cc2ccccc2)CNCCCCCOc2ccc(Cl)cc2CN1	Homo sapiens	CHEMBL808464	single protein format