BDBM50192448 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl ({[(3S,4R)-3,4,5-trihydroxyoxolan-2-yl]methyl phosphonato}oxy)phosphonate
SMILES: Nc1ncnc2n(cnc12)[C@@H]1O[C@H](COP([O-])(=O)OP([O-])(=O)OCC2OC(O)[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
InChI Key: InChIKey=SRNWOUGRCWSEMX-VIKJUHFYSA-L
Data: 1 Kd
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Ketopantoate reductase (Escherichia coli (strain K12)) | BDBM50192448 ([(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihyd...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | KEGG PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | n/a | 6.30E+6 | n/a | n/a | n/a | n/a | n/a |
University Chemical Laboratory Curated by ChEMBL | Assay Description Binding affinity to Escherichia coli KPR | J Med Chem 49: 4992-5000 (2006) Article DOI: 10.1021/jm060490r BindingDB Entry DOI: 10.7270/Q28S4QQN | |||||||||||
More data for this Ligand-Target Pair |