3D structures mapped by conservation among orthologs

[ Domain: "SH2" // SH2 ]

 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
CHEMBL3653842		IC50	=	0.0	nM	364.45	CCCn1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1	Homo sapiens	CHEMBL3706124	single protein format
CHEMBL3653779		IC50	=	0.0	nM	417.51	CC(=O)N(C)Cc1ccc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cc1	Homo sapiens	CHEMBL3706124	single protein format
CHEMBL3653843		IC50	=	0.0	nM	364.45	CC(C)n1cc(-c2cc(O[C@H](C)[C@H]3CNC(=O)C3)c3cccnc3c2)cn1	Homo sapiens	CHEMBL3706124	single protein format
CHEMBL3415598		IC50	=	0.01	nM	408.47	Cc1cc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)nc(-n2nccn2)n1	Homo sapiens	CHEMBL3420413	single protein format
CHEMBL4744190		IC50	=	0.03	nM	434.5	COC(=O)c1nn(C)c2c(C)cc(Nc3nccc(-c4cc(CN(C)C)n(C)n4)n3)cc12	Homo sapiens	CHEMBL4675674	single protein format
CHEMBL5425739		IC50	=	0.046	nM	516.61	Cc1nn2cc1CN(C)N1CCC(O)(CCNC(=O)c3nn(C)c4ccc(cc34)Nc3nccc-2n3)CC1	Homo sapiens	CHEMBL5365655	single protein format
CHEMBL4780257		IC50	=	0.06	nM	447.5	CNC(=O)c1nn(C)c2ccc(Nc3nccc(-n4cc(CN5CC(O)C5)c(C)n4)n3)cc12	Homo sapiens	CHEMBL4675674	single protein format
CHEMBL3415583		IC50	=	0.06	nM	354.46	Cc1cc(C)nc(Nc2cc(N[C@@H]3CCCC[C@@H]3N)cnc2C(N)=O)c1	Homo sapiens	CHEMBL3420413	single protein format
CHEMBL5435311		IC50	=	0.067	nM	500.61	Cc1nn2cc1CN(C)N1CCC(CCNC(=O)c3nn(C)c4ccc(cc34)Nc3nccc-2n3)CC1	Homo sapiens	CHEMBL5365655	single protein format
CHEMBL4776352		IC50	=	0.077	nM	449.54	CN(C)Cc1cnn(-c2ccnc3[nH]c(-c4cn(C)c5ccc(S(C)(=O)=O)cc45)nc23)c1	Homo sapiens	CHEMBL4669219	single protein format
CHEMBL5410717		IC50	=	0.08	nM	505.58	Cc1nn2cc1CN(C)CCOCCNC(=O)c1nn(C[C@@H](C)O)c3ccc(cc13)Nc1nccc-2n1	Homo sapiens	CHEMBL5365655	single protein format
CHEMBL4753469		IC50	=	0.09	nM	391.44	CNC(=O)c1ncn2ccc(Nc3nccc(-n4cc(CN(C)C)cn4)n3)cc12	Homo sapiens	CHEMBL4675674	single protein format
CHEMBL4762995		IC50	=	0.098	nM	467.54	Cc1nnc(-c2ccc3c(c2)c(-c2nc4c(-n5cc(CN(C)C)c(C)n5)ccnc4[nH]2)cn3C)o1	Homo sapiens	CHEMBL4669219	single protein format
CHEMBL3415606		IC50	=	0.1	nM	393.46	NC(=O)c1ncc(N[C@@H]2CCCC[C@@H]2N)cc1Nc1cccc(-n2nccn2)n1	Homo sapiens	CHEMBL3420413	single protein format
CHEMBL3696046		IC50	=	0.1	nM	421.5	COc1cc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)ccc1OC(C)C	Homo sapiens	CHEMBL3705989	single protein format
CHEMBL3696007		IC50	=	0.1	nM	477.56	CC[C@@H](Oc1nc(-c2ccc(OC3CCOCC3)c(OC)c2)cc2ncccc12)[C@H]1CNC(=O)C1	Homo sapiens	CHEMBL3705989	single protein format
CHEMBL3696011		IC50	=	0.1	nM	447.41	COc1ccc(-c2cc3ncccc3c(OC([C@H]3CNC(=O)C3)C(F)(F)F)n2)cc1OC	Homo sapiens	CHEMBL3705989	single protein format
CHEMBL3415589		IC50	=	0.1	nM	404.5	Cc1cc(C)nc(Nc2cc(N[C@@H]3CS(=O)(=O)CC[C@@H]3N)cnc2C(N)=O)c1	Homo sapiens	CHEMBL3420413	single protein format
CHEMBL3695989		IC50	=	0.1	nM	419.49	C[C@@H](Oc1nc(-c2ccc(N3CCOCC3)nc2)cc2ncccc12)[C@H]1CNC(=O)C1	Homo sapiens	CHEMBL3705989	single protein format
CHEMBL3696026		IC50	=	0.1	nM	393.44	COc1ccc(-c2cc3ncccc3c(O[C@H](C)[C@H]3CNC(=O)C3)n2)cc1OC	Homo sapiens	CHEMBL3705989	single protein format