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
CHEMBL3356433		IC50	<	1.0	nM	451.53	Cc1c[nH]c2ncnc(N3CCC(CN)(C(=O)Nc4cccc(OC(=O)N(C)C)c4)CC3)c12	Homo sapiens	CHEMBL3801113	single protein format
CHEMBL388978		IC50	=	2.3	nM	466.54	CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4	Homo sapiens	CHEMBL3820843	single protein format
CHEMBL7463		IC50	=	5.0	nM	412.49	CN(C)CCCn1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)c2ccccc21	Homo sapiens	CHEMBL5353386	single protein format
CHEMBL3544960		IC50	<	10.0	nM	313.79	NC[C@@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	Homo sapiens	CHEMBL4022204	assay format
CHEMBL4568087		IC50	=	27.0	nM	421.53	Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCC[C@@H]5N)c4)cnn3c2)cn1	Homo sapiens	CHEMBL4479768	assay format
CHEMBL52529		IC50	=	30.0	nM	521.48	O=C(N[C@@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL484990		IC50	<	50.0	nM	334.4	O=C1N=C(NCc2ccccc2)S/C1=C\c1c[nH]c2ncccc12	Homo sapiens	CHEMBL1034200	single protein format
CHEMBL60254		IC50	=	50.0	nM	550.52	O=C(N[C@@H]1CNCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL432168		IC50	=	50.0	nM	536.49	N[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL59828		IC50	=	70.0	nM	522.47	O=C(N[C@@H]1CNC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL308263		IC50	=	90.0	nM	550.52	NC[C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL1315166		IC50	=	100.0	nM	519.29	Cl.Cl.O=S(=O)(NCCNC/C=C/c1ccc(Br)cc1)c1cccc2cnccc12	Homo sapiens	CHEMBL1011048	single protein format
CHEMBL306580		IC50	=	130.0	nM	537.48	O=C(N[C@@H]1CC(O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL307708		IC50	=	170.0	nM	550.52	NC[C@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL75004		IC50	=	220.0	nM	551.5	O=C(N[C@@H]1C[C@@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL75661		IC50	=	230.0	nM	551.5	O=C(N[C@@H]1C[C@H](CO)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL3942454		IC50	=	250.0	nM	313.79	NC[C@](O)(c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1	Homo sapiens	CHEMBL3881289	single protein format
CHEMBL309034		IC50	=	250.0	nM	537.48	O=C(N[C@@H]1C[C@@H](O)C[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)O)c(O)c1)c1ccc(O)cc1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL76920		IC50	<	330.0	nM	563.56	CC(C)C1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)O)c(O)c2)C1	Homo sapiens	CHEMBL770106	single protein format
CHEMBL1258913		IC50	=	332.0	nM	544.68	O=C(Nc1n[nH]c2cc(C(=O)N[C@H](CN3CCCC3)c3ccccc3)sc12)c1ccc(N2CCOCC2)cc1	Homo sapiens	CHEMBL1260168	single protein format