3D structures mapped by conservation among orthologs

[ Domain: "TIM barrels" // OMPdecase ]

 PyMOL session

[ Domain: "PRTase-like" // Pribosyltran ]

 PyMOL session

 [ Alpha Fold Model ] (go)

 Known binders annotated in ChEMBL

 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
CHEMBL1164953		Ki	=	17.0	nM	339.2	NC(=O)c1[nH]nc([C@@H]2O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]2O)c1O	Homo sapiens	CHEMBL1168988	single protein format
CHEMBL2105330		Ki	=	17.0	nM	259.22	NC(=O)c1[nH]nc([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1O	Homo sapiens	CHEMBL4220277	single protein format
CHEMBL473587		Ki	=	350.0	nM	370.23	CCc1c(F)c(=O)[nH]c(=O)n1[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](O)[C@H]1O	Homo sapiens	CHEMBL1022248	single protein format