3D structures mapped by conservation among orthologs

[ Domain: "SH3" // SH3_1 ]

 PyMOL session

[ Domain: "SH2" // SH2 ]

 PyMOL session

[ Alpha Fold Model ] (go)

Known binders annotated in ChEMBL

 IC50 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
CHEMBL3144403		IC50	=	1.0	nM	514.48	NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc(OP(=O)(O)O)c(N)c2)CCCCC1)C(N)=O	Homo sapiens	CHEMBL686598	single protein format
CHEMBL2372811		IC50	=	23.0	nM	500.45	NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc(OP(=O)(O)O)c(N)c2)CCCC1)C(N)=O	Homo sapiens	CHEMBL686598	single protein format
CHEMBL2372812		IC50	=	65.0	nM	502.47	CC[C@H](C)[C@H](NC(=O)[C@@H](N)Cc1ccc(OP(=O)(O)O)c(N)c1)C(=O)N[C@@H](CC(N)=O)C(N)=O	Homo sapiens	CHEMBL686598	single protein format
CHEMBL2372814		IC50	=	124.0	nM	472.4	NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc(OP(=O)(O)O)c(N)c2)CC1)C(N)=O	Homo sapiens	CHEMBL686598	single protein format
CHEMBL3144402		IC50	=	140.0	nM	548.49	NC(=O)C[C@H](NC(=O)C1(NC(=O)[C@@H](N)Cc2ccc(OP(=O)(O)O)c(N)c2)Cc2ccccc2C1)C(N)=O	Homo sapiens	CHEMBL686598	single protein format
CHEMBL2372813		IC50	=	206.0	nM	474.41	CC(C)(NC(=O)[C@@H](N)Cc1ccc(OP(=O)(O)O)c(N)c1)C(=O)N[C@@H](CC(N)=O)C(N)=O	Homo sapiens	CHEMBL686598	single protein format
CHEMBL3142740		IC50	=	210.0	nM	527.47	CC(=O)N[C@H](C(=O)NC1(C(=O)N[C@@H](CC(N)=O)C(N)=O)CCCCC1)c1ccc(OP(=O)(O)O)cc1	Homo sapiens	CHEMBL674102	cell-based format
CHEMBL78242		IC50	=	700.0	nM	550.59	CC(=O)N[C@@H](Cc1ccc(CP(=O)(O)O)cc1)C(=O)NC1(C(=O)N[C@@H]2CCCC[C@@H]2C(N)=O)CCCCC1	Homo sapiens	CHEMBL677219	cell-based format