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
CHEMBL3640006		IC50	=	0.04	nM	361.4	Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C2(C)C	Homo sapiens	CHEMBL3705800	single protein format
CHEMBL1911339		IC50	=	0.06	nM	423.46	Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C21CCC(F)(F)CC1	Homo sapiens	CHEMBL1913342	single protein format
CHEMBL5180443		IC50	=	0.06	nM	563.71	CC(C)c1nnc2ccc(O[C@@H]3CC[C@H](NC(=O)Nc4cc(C(C)(C)C)nn4-c4ccccc4)c4ccccc43)cn12	Homo sapiens	CHEMBL5167053	assay format
CHEMBL1825149		IC50	=	0.08	nM	392.52	Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(c1)NC(=O)C21CCSCC1	Homo sapiens	CHEMBL1825474	single protein format
CHEMBL1825148		IC50	=	0.09	nM	403.44	Cc1ccc(C(=O)Nc2ccon2)cc1-c1ccc2c(c1)NC(=O)C21CCOCC1	Homo sapiens	CHEMBL1825474	single protein format
CHEMBL4060815		IC50	=	0.1	nM	529.52	CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4cccc(F)c4)c(F)cc3F)cc1CC2	Homo sapiens	CHEMBL4019402	single protein format
CHEMBL327959		IC50	=	0.1	nM	520.82	O=C1NCc2c(-c3ccc(F)cc3Cl)cc(OC3CCNCC3)cc2N1c1c(Cl)cccc1Cl	Homo sapiens	CHEMBL734090	single protein format
CHEMBL199680		IC50	=	0.1	nM	539.93	CC(C)(C)N1CCC(c2cc(-c3ccccc3Cl)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1	Homo sapiens	CHEMBL863917	single protein format
CHEMBL97227		IC50	=	0.1	nM	501.85	O=C1NCc2c(-c3ccccc3Cl)cc(CN3CCNCC3)cc2N1c1c(Cl)cccc1Cl	Homo sapiens	CHEMBL734090	single protein format
CHEMBL5173417		IC50	=	0.1	nM	577.73	Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)N[C@H]2CC[C@H](Oc3ccc4nnc(C(C)C)n4c3)c3ccccc32)cc1	Homo sapiens	CHEMBL5167053	assay format
CHEMBL328614		IC50	=	0.1	nM	504.82	O=C1NCc2c(-c3ccc(F)cc3Cl)cc(C3CCNCC3)cc2N1c1c(Cl)cccc1Cl	Homo sapiens	CHEMBL734090	single protein format
CHEMBL1916528		IC50	=	0.13	nM	499.83	[O-][n+]1ccc2c(-c3ccccc3Cl)cc(NC3CCNCC3)nc2c1-c1c(Cl)cccc1Cl	Homo sapiens	CHEMBL1918093	single protein format
CHEMBL327746		IC50	=	0.13	nM	519.84	O=C1NCc2c(-c3ccc(F)cc3Cl)cc(CN3CCNCC3)cc2N1c1c(Cl)cccc1Cl	Homo sapiens	CHEMBL734090	single protein format
CHEMBL199679		IC50	=	0.14	nM	541.47	CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3ccc(=O)n(-c4c(Cl)cccc4Cl)c3c2)CC1	Homo sapiens	CHEMBL863917	single protein format
CHEMBL1911338		IC50	=	0.16	nM	389.46	Cc1ccc2c(NC3CC3)noc2c1-c1ccc2c(c1)NC(=O)C21CCOCC1	Homo sapiens	CHEMBL1913342	single protein format
CHEMBL4104440		IC50	=	0.2	nM	579.53	CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4ccc(C(F)(F)F)cc4)c(F)cc3F)cc1CC2	Homo sapiens	CHEMBL4019402	single protein format
CHEMBL212549		IC50	=	0.2	nM	530.45	CC(C)N1CCC(c2cc(-c3ccc(F)cc3F)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1	Homo sapiens	CHEMBL867362	single protein format
CHEMBL3649495		IC50	=	0.2	nM	349.34	Cc1ccccc1-c1nncc2nc(Oc3ccc(F)cc3F)ccc12	Homo sapiens	CHEMBL3706342	single protein format
CHEMBL316604		IC50	=	0.2	nM	560.93	CC(C)(C)N1CCC(c2cc(-c3ccc(F)cc3Cl)c3c(c2)N(c2c(Cl)cccc2Cl)C(=O)NC3)CC1	Homo sapiens	CHEMBL734090	single protein format
CHEMBL4073561		IC50	=	0.2	nM	545.97	CNC(=O)c1ccc2c(c1)C(=O)c1ccc(Nc3cc(NC(=O)c4ccc(Cl)cc4)c(F)cc3F)cc1CC2	Homo sapiens	CHEMBL4019402	single protein format