3D structures mapped by conservation among orthologs

[ Domain: "P-loop containing nucleoside triphosphate hydrolases" // Adenylsucc_synt ]

 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
CHEMBL118357		IC50	=	43.0	nM	457.29	O=CN(O)[C@@H](CCCN1C(=O)N[C@@]2(O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)C1=O)C(=O)O	Homo sapiens	CHEMBL641276	single protein format
CHEMBL323799		IC50	=	675.0	nM	298.14	O=C1NC(=O)[C@@]2(N1)O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O	Homo sapiens	CHEMBL641276	single protein format