Reaction Details Report a problem with these data
Target
6-phosphogluconate dehydrogenase, decarboxylating
Ligand
BDBM50148779
Substrate
n/a
Meas. Tech.
ChEMBL_4337 (CHEMBL618442)
Ki
109000±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:
BDBM50148779
Synonyms:
Acetic acid (1R,2R)-2-acetoxy-1-(acetyl-benzyloxy-aminocarbonyl)-3-(bis-benzyloxy-phosphoryloxy)-propyl ester | CHEMBL113666
Type:
Small organic molecule
Emp. Form.:
C31H34NO11P
Mol. Mass.:
627.5755
SMILES:
CC(=O)O[C@H](COP(=O)(OCc1ccccc1)OCc1ccccc1)[C@@H](OC(C)=O)C(=O)N(OCc1ccccc1)C(C)=O
Structure:
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