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Target
6-phosphogluconate dehydrogenase, decarboxylating
Ligand
BDBM50148780
Substrate
n/a
Meas. Tech.
ChEMBL_642682 (CHEMBL1176974)
Ki
1100±n/a nM
Citation
 Ruda, GF; Campbell, G; Alibu, VP; Barrett, MP; Brenk, R; Gilbert, IH Virtual fragment screening for novel inhibitors of 6-phosphogluconate dehydrogenase. Bioorg Med Chem 18:5056-62 (2010) [PubMed]  Article 
Target
Name:
6-phosphogluconate dehydrogenase, decarboxylating
Synonyms:
6PGD_SHEEP | PGD
Type:
PROTEIN
Mol. Mass.:
52976.41
Organism:
Ovis aries
Description:
ChEMBL_642682
Residue:
483
Sequence:
MAQADIALIGLAVMGQNLILNMNDHGFVVCAFNRTVSKVDDFLANEAKGTKVLGAHSLEEMVSKLKKPRRIILLVKAGQAVDNFIEKLVPLLDIGDIIIDGGNSEYRDTMRRCRDLKDKGILFVGSGVSGGEDGARYGPSLMPGGNKEAWPHIKAIFQGIAAKVGTGEPCCDWVGDDGAGHFVKMVHNGIEYGDMQLICEAYHLMKDVLGLGHKEMAKAFEEWNKTELDSFLIEITASILKFQDADGKHLLPKIRDSAGQKGTGKWTAISALEYGVPVTLIGEAVFARCLSSLKDERIQASKKLKGPQNIPFEGDKKSFLEDIRKALYASKIISYAQGFMLLRQAATEFGWTLNYGGIALMWRGGCIIRSVFLGKIKDAFDRNPGLQNLLLDDFFKSAVENCQDSWRRAISTGVQAGIPMPCFTTALSFYDGYRHAMLPANLIQAQRDYFGAHTYELLAKPGQFIHTNWTGHGGSVSSSSYNA
  
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:
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