Reaction Details Report a problem with these data
Target
6-phosphogluconate dehydrogenase, decarboxylating
Ligand
BDBM50148780
Substrate
n/a
Meas. Tech.
ChEMBL_4337 (CHEMBL618442)
Ki
35±n/a nM
Citation
 Dardonville, C; Rinaldi, E; Barrett, MP; Brun, R; Gilbert, IH; Hanau, S Selective inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase by high-energy intermediate and transition-state analogues. J Med Chem 47:3427-37 (2004) [PubMed]  Article 
Target
Name:
6-phosphogluconate dehydrogenase, decarboxylating
Synonyms:
6-phosphogluconate dehydrogenase | 6-phosphogluconate dehydrogenase (6PGD) | 6PGD_HUMAN | PGD | PGDH
Type:
Protein
Mol. Mass.:
53143.42
Organism:
Homo sapiens (Human)
Description:
P52209
Residue:
483
Sequence:
MAQADIALIGLAVMGQNLILNMNDHGFVVCAFNRTVSKVDDFLANEAKGTKVVGAQSLKEMVSKLKKPRRIILLVKAGQAVDDFIEKLVPLLDTGDIIIDGGNSEYRDTTRRCRDLKAKGILFVGSGVSGGEEGARYGPSLMPGGNKEAWPHIKTIFQGIAAKVGTGEPCCDWVGDEGAGHFVKMVHNGIEYGDMQLICEAYHLMKDVLGMAQDEMAQAFEDWNKTELDSFLIEITANILKFQDTDGKHLLPKIRDSAGQKGTGKWTAISALEYGVPVTLIGEAVFARCLSSLKDERIQASKKLKGPQKFQFDGDKKSFLEDIRKALYASKIISYAQGFMLLRQAATEFGWTLNYGGIALMWRGGCIIRSVFLGKIKDAFDRNPELQNLLLDDFFKSAVENCQDSWRRAVSTGVQAGIPMPCFTTALSFYDGYRHEMLPASLIQAQRDYFGAHTYELLAKPGQFIHTNWTGHGGTVSSSSYNA
  
Inhibitor
Name:
BDBM50148780
Synonyms:
((4R,5R)-5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate | (5-(hydroxycarbamoyl)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl dihydrogen phosphate | CHEMBL324609 | Phosphoric acid mono-((R)-(R)-5-hydroxycarbamoyl-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl) ester
Type:
Small organic molecule
Emp. Form.:
C7H14NO8P
Mol. Mass.:
271.1617
SMILES:
CC1(C)O[C@H](COP(O)(O)=O)[C@@H](O1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: