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TitleIdentification of novel aldose reductase inhibitors based on carboxymethylated mercaptotriazinoindole scaffold.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 2649-2657, Year 2015
Publish dateJul 18, 2014 (structure data deposition date)
AuthorsStefek, M. / Soltesova Prnova, M. / Majekova, M. / Rechlin, C. / Heine, A. / Klebe, G.
External linksJ. Med. Chem. / PubMed:25695864
MethodsX-ray diffraction
Resolution1.259 Å
Structure data

PDB-4qx4:
Human Aldose Reductase complexed with a ligand with a new scaffold at 1.26 A
Method: X-RAY DIFFRACTION / Resolution: 1.259 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-3E2:
(3-thioxo-2,3-dihydro-5H-[1,2,4]triazino[5,6-b]indol-5-yl)acetic acid

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordsoxidoreductase/oxidoreductase inhibitor / TIM BARREL / OXIDOREDUCTASE / oxidoreductase-oxidoreductase inhibitor complex

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