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
CHEMBL388978		IC50	=	0.124	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL4328596	single protein format
CHEMBL3673622		IC50	=	0.2	nM	400.44	C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n21	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL3673631		IC50	=	0.27	nM	415.46	CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccncc5)c4)nc3n21	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL3673624		IC50	=	0.34	nM	414.47	C[C@H]1NC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n2[C@H]1C	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL3673609		IC50	=	0.39	nM	414.47	CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(Cc5ccccc5)c4)nc3n21	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL3673603		IC50	=	0.78	nM	338.37	CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(C)c4)nc3n21	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL495727		IC50	=	1.0	nM	381.44	O=C(Nc1c[nH]nc1-c1nc2ccc(CN3CCOCC3)cc2[nH]1)NC1CC1	Homo sapiens	CHEMBL1009903	single protein format
CHEMBL1933280		IC50	=	1.0	nM	387.44	CCn1c(NC(=O)c2ccc3cc4n(c3c2)CCCNC4=O)nc2ccccc21	Homo sapiens	CHEMBL1936697	single protein format
CHEMBL4568087		IC50	<	1.0	nM	421.53	Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1	Homo sapiens	CHEMBL4479776	assay format
CHEMBL1933288		IC50	=	1.0	nM	458.57	C[C@@H]1CCNC(=O)c2cc3ccc(C(=O)Nc4nc5ccccc5n4CCCN(C)C)cc3n21	Homo sapiens	CHEMBL1936697	single protein format
CHEMBL3673606		IC50	=	1.1	nM	380.45	CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnn(C(C)(C)C)c4)nc3n21	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL2347053		IC50	=	1.6	nM	332.32	O=C1Nc2ccccc2/C1=C/c1c[nH]nc1-c1ccccc1[N+](=O)[O-]	Homo sapiens	CHEMBL2350682	single protein format
CHEMBL3673598		IC50	=	1.6	nM	459.51	CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnc5c(cnn5CC5CCOC5)c4)nc3n21	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL3639725		IC50	=	1.6	nM	435.49	Cn1cc(NC(=O)c2ccc3cc4n(c3n2)CCCNC4=O)nc1C(=O)NC1CCCC1	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL1933278		IC50	=	2.0	nM	400.44	O=C(Nc1cnn(Cc2ccncc2)c1)c1ccc2cc3n(c2c1)CCCNC3=O	Homo sapiens	CHEMBL1936697	single protein format
CHEMBL3673592		IC50	=	2.1	nM	417.47	CC(C)n1ncc2cc(NC(=O)c3ccc4cc5n(c4n3)C(C)CCNC5=O)cnc21	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL3673589		IC50	=	2.3	nM	363.38	NC(=O)c1ccccc1NC(=O)c1ccc2cc3n(c2n1)CCCNC3=O	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL3673595		IC50	=	2.3	nM	459.51	CC1CCNC(=O)c2cc3ccc(C(=O)Nc4cnc5c(cnn5C5CCOCC5)c4)nc3n21	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL3673648		IC50	=	2.6	nM	339.36	Cc1cc(NC(=O)c2ccc3cc4n(c3n2)[C@@H](C)[C@@H](C)NC4=O)no1	Homo sapiens	CHEMBL3706312	single protein format
CHEMBL3673627		IC50	=	3.0	nM	371.4	C[C@@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cnc5ccccc5c4)nc3n21	Homo sapiens	CHEMBL3706312	single protein format