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TitleMorpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3).
Journal, issue, pagesBioorg. Med. Chem., Vol. 22, Page 967-977, Year 2014
Publish dateOct 18, 2012 (structure data deposition date)
AuthorsFlanagan, J.U. / Atwell, G.J. / Heinrich, D.M. / Brooke, D.G. / Silva, S. / Rigoreau, L.J. / Trivier, E. / Turnbull, A.P. / Raynham, T. / Jamieson, S.M. / Denny, W.A.
External linksBioorg. Med. Chem. / PubMed:24411201
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-4hmn:
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24)
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-NAP:
NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-16J:
[4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOxidoreductase/Oxidoreductase inhibitor / TIM-barrel / aldo-keto reductase / OXIDOREDUCTASE / Oxidoreductase-Oxidoreductase inhibitor complex

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