3D structures mapped by conservation among orthologs

[ Domain: "SH3" // PWWP ]

 PyMOL session

[ Domain: "Bromodomain" // Bromodomain ]

 PyMOL session

[ Domain: "FYVE/PHD zinc finger" // PHD_2 ]

 PyMOL session

[ Domain: "FYVE/PHD zinc finger" // zf-HC5HC2H ]

 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
CHEMBL4075478		IC50	=	37.0	nM	405.84	Cc1cc2c(cc1N1C(=O)c3cccc4c(Cl)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4102050		IC50	=	48.0	nM	353.4	Cc1cc2cc(NS(=O)(=O)c3ccc(C#N)cc3)ccc2n(C)c1=O	Homo sapiens	CHEMBL4030908	assay format
CHEMBL4086958		IC50	=	51.0	nM	450.29	Cc1cc2c(cc1N1C(=O)c3cccc4c(Br)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4104538		IC50	=	53.0	nM	484.56	COC1CCN(c2ccc3c4c(cccc24)C(=O)N(c2cc4c(cc2C)n(C)c(=O)n4C)C3=O)CC1	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4067968		IC50	=	61.0	nM	456.5	Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4076603		IC50	=	63.0	nM	386.41	Cc1cc2c(cc1N1C(=O)c3cccc4cc(N)cc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4065133		IC50	=	66.0	nM	470.53	Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCC(O)CC5)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4059651		IC50	=	70.0	nM	443.5	Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCCO)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4064164		IC50	=	74.0	nM	526.64	Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCN(CCN(C)C)CC5)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4086276		IC50	=	74.0	nM	429.48	Cc1cc2c(cc1N1C(=O)c3cccc4c(CCCO)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4103077		IC50	=	80.0	nM	413.46	COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1OC)cc(C)c(=O)n2C	Homo sapiens	CHEMBL4030908	assay format
CHEMBL4076067		IC50	=	80.0	nM	509.61	Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCN(CC6CC6)CC5)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4068180		IC50	=	82.0	nM	416.39	Cc1cc2c(cc1N1C(=O)c3cccc4cc([N+](=O)[O-])cc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4091912		IC50	=	84.0	nM	497.6	Cc1cc2c(cc1N1C(=O)c3cccc4c(N(C)CCN5CCCC5)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4072812		IC50	=	93.0	nM	469.55	Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCN(C)CC5)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4098824		IC50	=	94.0	nM	371.4	Cc1cc2c(cc1N1C(=O)c3cccc4cccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4092917		IC50	=	95.0	nM	454.53	Cc1cc2c(cc1N1C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4064292		IC50	=	100.0	nM	400.44	CN(C)c1cc2c(cc1N1C(=O)c3cccc4cccc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format
CHEMBL4059962		IC50	=	100.0	nM	383.43	COc1cc2c(cc1NS(=O)(=O)c1ccc(C#N)cc1)cc(C)c(=O)n2C	Homo sapiens	CHEMBL4030908	assay format
CHEMBL4077317		IC50	=	102.0	nM	387.4	Cc1cc2c(cc1N1C(=O)c3cccc4cc(O)cc(c34)C1=O)n(C)c(=O)n2C	Homo sapiens	CHEMBL4051532	assay format