3D structures mapped by conservation among orthologs

[ 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
CHEMBL3961316		IC50	=	0.1	nM	559.58	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(CCO)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3962177		IC50	=	0.1	nM	572.58	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(C(=O)CN)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3932533		IC50	=	0.2	nM	573.63	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4cccc(-c5cccnc5)c4)cn3n2)c1C1CCOCC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3926405		IC50	=	0.2	nM	515.52	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1C1CCOCC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3939027		IC50	=	0.2	nM	572.58	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(CC(N)=O)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3935382		IC50	=	0.3	nM	578.61	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1N1CCN(Cc2ccon2)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3971152		IC50	=	0.3	nM	593.63	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N)c4)cn3n2)c1N1CCN(Cc2ccon2)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3943491		IC50	=	0.3	nM	586.6	COCC(=O)N1CCC(c2c(-c3ccc4nc(NC(=O)c5ccnc(F)c5)cn4n3)c(-c3ccc(F)cc3)nn2C)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3986585		IC50	=	0.3	nM	594.68	Cc1nc(-c2cccnc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCOCC3)ccc2n1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3906580		IC50	=	0.3	nM	594.68	Cc1nc(-c2ccncc2)sc1C(=O)Nc1cn2nc(-c3c(-c4ccc(F)cc4)nn(C)c3C3CCOCC3)ccc2n1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3922511		IC50	=	0.3	nM	571.59	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1C1CCN(CC(N)=O)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3936532		IC50	=	0.3	nM	575.6	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(CCCF)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3910924		IC50	=	0.3	nM	497.53	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1C1CCOCC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3926825		IC50	=	0.4	nM	596.6	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1N1CCN(Cc2ccon2)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3931942		IC50	=	0.4	nM	574.61	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1C1CCN(CCCF)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3923163		IC50	=	0.4	nM	514.52	Cn1cc(-c2ccc3nc(NC(=O)c4cncc(-c5ccc(C#N)cc5)c4)cn3n2)c(-c2ccc(F)cc2)n1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3942825		IC50	=	0.4	nM	567.6	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1C1CCN(CCC#N)CC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3948521		IC50	=	0.4	nM	490.5	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccncc4)cn3n2)c1-c1ccncc1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3938867		IC50	=	0.5	nM	582.64	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(N5CCOCC5)c4)cn3n2)c1C1CCOCC1	Homo sapiens	CHEMBL3889262	single protein format
CHEMBL3916656		IC50	=	0.5	nM	508.49	Cn1nc(-c2ccc(F)cc2)c(-c2ccc3nc(NC(=O)c4ccnc(F)c4)cn3n2)c1-c1ccncc1	Homo sapiens	CHEMBL3889262	single protein format