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Target
6-phosphogluconate dehydrogenase, decarboxylating
Ligand
BDBM50590158
Substrate
n/a
Meas. Tech.
ChEMBL_2195307 (CHEMBL5107667)
Ki
100±n/a nM
Citation
 Gao, RD; Maeda, M; Tallon, C; Feinberg, AP; Slusher, BS; Tsukamoto, T Effects of 6-Aminonicotinic Acid Esters on the Reprogrammed Epigenetic State of Distant Metastatic Pancreatic Carcinoma. ACS Med Chem Lett 13:1892-1897 (2022) [PubMed] 
Target
Name:
6-phosphogluconate dehydrogenase, decarboxylating
Synonyms:
1.1.1.44 | 6PGD_RAT | Pgd
Type:
PROTEIN
Mol. Mass.:
53238.67
Organism:
Rattus norvegicus
Description:
ChEMBL_120680
Residue:
483
Sequence:
MAQADIALIGLAVMGQNLILNMNDHGFVVCAFNRTVSKVDDFLAKEAKGTKVIGAKSLKDMVSKLKKPRRVILLVKAGQAVDDFIEKLVPLLDTGDIIIDGGNSEYRDTTRRCQDLKAKGILFVGSGVSGGEEGARYGPSLMPGGNKEAWPHIKTIFQAIAAKVGTGEPCCDWVGDEGAGHFVKMVHNGIEYGDMQLICEAYHLMKDVLGMRHEEMAQAFEDWNKTELDSFLIEITANILKFQDTDGKELLPKIRDSAGQKGTGKWTAISALEYGMPVTLIGEAVFARCLSSLKEERVQASRKLKGPKMVQLEGSKQAFLEDVRKALYASKIISYAQGFMLLRQAATEFGWTLNYGGIALMWRGGCIIRSVFLGKIKDAFERNPELQNLLLDDFFKSAVDDCQDSWRRVISTGVQAGIPMPCFTTALSFYDGYRHEMLPANLIQAQRDYFGAHTYELLSKPGEFIHTNWTGHGGSVSSSSYNA
  
Inhibitor
Name:
BDBM50590158
Synonyms:
CHEMBL5174714
Type:
Small organic molecule
Emp. Form.:
C21H30N8O17P3
Mol. Mass.:
759.427
SMILES:
NC(=O)c1ccc(N)[n+](c1)[C@@H]1O[C@H](COP(O)(=O)OP(O)(=O)OC[C@H]2O[C@H]([C@H](OP(O)(O)=O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r|
Structure:
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