3D structures mapped by conservation among orthologs

[ Domain: "DEATH domain" // Death ]

 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
CHEMBL4067372		IC50	=	0.05	nM	377.4	CN1C(=O)[C@@H](NC(=O)c2ncc(Cc3ccccc3)o2)COc2ccccc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4093220		IC50	=	0.079	nM	378.39	CN1C(=O)[C@@H](NC(=O)c2nnn(Cc3ccccc3)n2)COc2ccccc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL3786997		IC50	=	0.2	nM	375.43	CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)CCc2ccccc21	Homo sapiens	CHEMBL3789114	single protein format
CHEMBL4068954		IC50	=	0.32	nM	434.45	CC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](NC(=O)c1cc(Cc3ccccc3)on1)CO2	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4096224		IC50	=	0.32	nM	450.45	COC(=O)Nc1ccc2c(c1)N(C)C(=O)[C@@H](NC(=O)c1cc(Cc3ccccc3)on1)CO2	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4452233		IC50	=	0.4	nM	397.39	O=C(N[C@H]1CCc2cc(F)cc(F)c2NC1=O)c1n[nH]c(Cc2ccccc2)n1	Homo sapiens	CHEMBL4305913	single protein format
CHEMBL3785482		IC50	=	0.4	nM	376.42	CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)[nH]n2)COc2ccccc21	Homo sapiens	CHEMBL3789114	single protein format
CHEMBL4069318		IC50	=	0.4	nM	376.42	CN1C(=O)[C@@H](NC(=O)c2cn(Cc3ccccc3)cn2)COc2ccccc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4060644		IC50	=	0.4	nM	390.44	CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)n(C)n2)COc2ccccc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4089558		IC50	=	0.5	nM	461.43	CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccc(-c3n[nH]c(=O)o3)cc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4099004		IC50	=	0.5	nM	378.39	CN1C(=O)[C@@H](NC(=O)c2noc(Cc3ccccc3)n2)COc2ccccc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4081685		IC50	=	0.63	nM	470.51	CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccc(NS(C)(=O)=O)cc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4065561		IC50	=	0.63	nM	377.4	CN1C(=O)[C@@H](NC(=O)c2ncn(Cc3ccccc3)n2)COc2ccccc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4088857		IC50	=	0.79	nM	378.39	CN1C(=O)[C@@H](NC(=O)c2nnc(Cc3ccccc3)o2)COc2ccccc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL3786078		IC50	=	0.79	nM	376.42	CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)CNc2ccccc21	Homo sapiens	CHEMBL3789105	single protein format
CHEMBL4439913		IC50	=	0.9	nM	365.43	CNC(=O)c1ccc2c(c1)ncn2-c1ccc(CC(=O)OC(C)(C)C)cc1	Homo sapiens	CHEMBL4378744	single protein format
CHEMBL3785745		IC50	=	0.94	nM	393.47	CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)CSc2ccccc21	Homo sapiens	CHEMBL3789105	single protein format
CHEMBL4071864		IC50	=	1.0	nM	377.4	CN1C(=O)[C@@H](NC(=O)c2n[nH]c(Cc3ccccc3)n2)COc2ccccc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4080978		IC50	=	1.0	nM	377.4	CN1C(=O)[C@@H](NC(=O)c2cn(Cc3ccccc3)nn2)COc2ccccc21	Homo sapiens	CHEMBL3999296	cell-based format
CHEMBL4099698		IC50	=	1.0	nM	443.46	CN1C(=O)[C@@H](NC(=O)c2cc(Cc3ccccc3)on2)COc2ccc(-c3cc[nH]n3)cc21	Homo sapiens	CHEMBL3999296	cell-based format