Reaction Details Report a problem with these data
Target
6-phosphogluconate dehydrogenase, decarboxylating
Ligand
BDBM50153015
Substrate
n/a
Meas. Tech.
ChEMBL_467396 (CHEMBL921930)
IC50
210±n/a nM
Citation
 Shin, ES; Park, J; Shin, JM; Cho, D; Cho, SY; Shin, DW; Ham, M; Kim, JB; Lee, TR Catechin gallates are NADP+-competitive inhibitors of glucose-6-phosphate dehydrogenase and other enzymes that employ NADP+ as a coenzyme. Bioorg Med Chem 16:3580-6 (2008) [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:
BDBM50153015
Synonyms:
(-)-Epicatechin-3-gallate | (-)-epicatechin 3-O-gallate | (-)-epicatechin gallate | (-)-epicatechingallate | (-)epicatechingallate | (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate | (2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxychroman-3-yl 3,4,5-trihydroxybenzoate | 3,4,5-Trihydroxy-benzoic acid (2R,3R)-2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester | 3,4,5-Trihydroxy-benzoic acid 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-chroman-3-yl ester | CHEMBL36327 | Epicatechin gallate | Epicatechin-3-O-gallate
Type:
Small organic molecule
Emp. Form.:
C22H18O10
Mol. Mass.:
442.3723
SMILES:
Oc1cc(O)c2C[C@@H](OC(=O)c3cc(O)c(O)c(O)c3)[C@H](Oc2c1)c1ccc(O)c(O)c1 |r|
Structure:
Search PDB for entries with ligand similarity: