3D structures mapped by conservation among orthologs

[ Domain: "SH2" // SH2 ]

 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
CHEMBL4214683		IC50	=	0.14	nM	498.61	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(C)n4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4206765		IC50	=	0.14	nM	499.6	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cc[nH]c(=O)c4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4217959		IC50	=	0.16	nM	499.6	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(N)n4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4203077		IC50	=	0.18	nM	586.76	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4219011		IC50	=	0.18	nM	512.64	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(NC)c4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4207292		IC50	=	0.2	nM	498.61	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4ccnc(N)c4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4211372		IC50	=	0.21	nM	473.56	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4208358		IC50	=	0.22	nM	491.55	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(F)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4216187		IC50	=	0.25	nM	502.6	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(NC)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4204572		IC50	=	0.29	nM	470.55	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(C)(F)F)s3)nc3ccccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL5416410		IC50	=	0.3	nM	506.03	Cc1nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)cc(N2CCN(CCO)CC2)n1.O	Homo sapiens	CHEMBL1244593	single protein format
CHEMBL4202941		IC50	=	0.39	nM	571.69	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CNCC(C)(C)CO)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL249317		IC50	=	0.4	nM	371.42	Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1	Homo sapiens	CHEMBL923141	single protein format
CHEMBL4215147		IC50	=	0.42	nM	588.73	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(-c4cnco4)s3)nc3cc(CNCC(C)(C)CO)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4210857		IC50	=	0.47	nM	538.7	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C#N)cc3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4206487		IC50	=	0.55	nM	569.72	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4215807		IC50	=	0.59	nM	520.7	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccns3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4218914		IC50	=	0.67	nM	555.65	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3ccc(C(F)F)s3)nc3cc(CN4CCOCC4)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL4202618		IC50	=	0.76	nM	520.7	C=CC(=O)N1CC[C@]2(C1)C[C@H](n1c(NC(=O)c3cncs3)nc3cc(CN[C@@H](C)C(C)(C)C)ccc31)C2	Homo sapiens	CHEMBL4199504	single protein format
CHEMBL3290142		IC50	=	1.9	nM	560.54	C=CC(=O)Nc1cccc(Nc2ncc(NC(=O)c3cc(NC(=O)c4cccc(C(F)(F)F)c4)ccc3C)cn2)c1	Homo sapiens	CHEMBL3292443	single protein format