3D structures mapped by conservation among orthologs

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_4 ]

 PyMOL session

[ Domain: "Immunoglobulin/Fibronectin type III/E set domains/PapD-like" // I-set_5 ]

 PyMOL session

[ Domain: "Protein kinase" // Pkinase_Tyr ]

 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
CHEMBL4858468		IC50	=	0.1	nM	552.61	Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2)c2c(N)ncnc21	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4871361		IC50	<	0.2	nM	518.5	CC(C)n1cc(C(=O)Nc2cc(F)c(-c3c[nH]c4ncnc(N)c34)cc2F)c(=O)c(-c2ccc(F)cc2)c1	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4855261		IC50	=	0.2	nM	569.07	Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(Cl)cc4)c3=O)cc2)c2c(N)ncnc21	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4877502		IC50	=	0.2	nM	570.6	Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)c(F)c2)c2c(N)ncnc21	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4860162		IC50	=	0.2	nM	538.58	Nc1ncnc2[nH]cc(-c3ccc(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3)c12	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4869472		IC50	=	0.4	nM	574.56	Nc1ncnc2[nH]cc(-c3cc(F)c(NC(=O)c4cn(CC5CCOCC5)cc(-c5ccc(F)cc5)c4=O)cc3F)c12	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4875762		IC50	=	0.4	nM	496.55	CC(C)n1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL5218452		IC50	=	0.49	nM	272.26	O=C1CC(c2ccc(O)c(O)c2O)Oc2ccccc21	Homo sapiens	CHEMBL5215366	single protein format
CHEMBL4873311		IC50	=	0.5	nM	588.59	Cn1cc(-c2cc(F)c(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnc21	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4845677		IC50	=	0.5	nM	539.57	CN(C)C(=O)Cn1cc(C(=O)Nc2ccc(-c3cn(C)c4ncnc(N)c34)cc2)c(=O)c(-c2ccc(F)cc2)c1	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4476226		IC50	<	0.5	nM	589.64	CC(=O)N1CCN(c2ccc(Nc3ncc(C(F)(F)F)c(N4Cc5cccc(N(C)S(C)(=O)=O)c5C4)n3)cc2)CC1	Homo sapiens	CHEMBL4326591	cell-based format
CHEMBL4516515		IC50	=	0.7	nM	506.7	CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCN(C2CCC(CC)C2)CC3)nc1NC1CCOCC1	Homo sapiens	CHEMBL4424132	single protein format
CHEMBL3301622		IC50	=	0.73	nM	552.72	CCc1nc(C(N)=O)c(Nc2ccc(N3CCC(N4CCN(C)CC4)CC3)c(OC)c2)nc1NC1CCOCC1	Homo sapiens	CHEMBL4360650	assay format
CHEMBL4277499		IC50	=	0.77	nM	459.41	O=C(Nc1ccc(Oc2ccnc3[nH]cnc23)c(F)c1)c1cccn(-c2ccc(F)cc2)c1=O	Homo sapiens	CHEMBL4264825	assay format
CHEMBL4871310		IC50	=	0.8	nM	558.55	CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(-c4cnn(C)c4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O	Homo sapiens	CHEMBL4823577	single protein format
CHEMBL4851553		IC50	=	0.8	nM	570.6	Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4F)c3=O)cc2)c2c(N)ncnc21	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4866647		IC50	=	0.8	nM	570.6	Cn1cc(-c2ccc(NC(=O)c3cn(CC4CCOCC4)cc(-c4ccc(F)cc4)c3=O)cc2F)c2c(N)ncnc21	Homo sapiens	CHEMBL4838186	single protein format
CHEMBL4845957		IC50	=	0.85	nM	544.54	CC(C)n1cc(C(=O)Nc2ccc(Oc3cc(NC(=O)C4CC4)ncn3)cc2)c(=O)n(-c2ccc(F)cc2)c1=O	Homo sapiens	CHEMBL4822425	single protein format
CHEMBL4873571		IC50	=	0.9	nM	561.55	CC(C)n1cc(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)c(F)c2)c(=O)n(-c2ccc(F)cc2)c1=O	Homo sapiens	CHEMBL4823577	single protein format
CHEMBL4445940		IC50	=	0.94	nM	548.59	CN(c1cccc2c1CN(c1nc(Nc3ccc(N4CCOCC4)cc3)ncc1C(F)(F)F)C2)S(C)(=O)=O	Homo sapiens	CHEMBL4326591	cell-based format