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TitleSynthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.
Journal, issue, pagesEur. J. Med. Chem., Vol. 62C, Page 738-744, Year 2013
Publish dateSep 20, 2012 (structure data deposition date)
AuthorsHeinrich, D.M. / Flanagan, J.U. / Jamieson, S.M. / Silva, S. / Rigoreau, L.J. / Trivier, E. / Raynham, T. / Turnbull, A.P. / Denny, W.A.
External linksEur. J. Med. Chem. / PubMed:23454516
MethodsX-ray diffraction
Resolution1.97 Å
Structure data

PDB-4h7c:
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone
Method: X-RAY DIFFRACTION / Resolution: 1.97 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-10H:
1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordsoxidoreductase/oxidoreductase inhibitor / TIM-barrel / aldo-keto reductase / oxidoreductase-oxidoreductase inhibitor complex

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