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Structure paper

TitleThree-dimensional rational approach to the discovery of potent substituted cyclopropyl urea soluble epoxide hydrolase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 1705-1708, Year 2015
Publish dateDec 9, 2014 (structure data deposition date)
AuthorsTakai, K. / Chiyo, N. / Nakajima, T. / Nariai, T. / Ishikawa, C. / Nakatani, S. / Ikeno, A. / Yamamoto, S. / Sone, T.
External linksBioorg. Med. Chem. Lett. / PubMed:25800114
MethodsX-ray diffraction
Resolution1.8 - 2.1 Å
Structure data

PDB-4x6x:
Human soluble epoxide hydrolase in complex with a three substituted cyclopropane derivative
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-4x6y:
Human soluble epoxide hydrolase in complex with a cyclopropyl urea derivative
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-S74:
3-{4-[(1-{[(1s,2R,3S)-2,3-diphenylcyclopropyl]carbamoyl}piperidin-4-yl)oxy]phenyl}propanoic acid

ChemComp-HOH:
WATER

ChemComp-S94:
4-phenoxy-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase Inhibitor / hydrolase / Hydrolase-Hydrolase Inhibitor complex

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