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Target
6-phosphogluconate dehydrogenase, decarboxylating
Ligand
BDBM50148767
Substrate
n/a
Meas. Tech.
ChEMBL_642682 (CHEMBL1176974)
Ki
2540±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:
BDBM50148767
Synonyms:
2,3-dihydroxy-4-(hydroxyamino)-4-oxobutyl dihydrogen phosphate | 4-PHOSPHO-D-ERYTHRONOHYDROXAMIC ACID | CHEMBL116018 | Phosphoric acid mono-((1R,3R)-2,3-dihydroxy-3-hydroxycarbamoyl-propyl) ester
Type:
Small organic molecule
Emp. Form.:
C4H10NO8P
Mol. Mass.:
231.0979
SMILES:
ONC(=O)[C@H](O)[C@H](O)COP(O)(O)=O
Structure:
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