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TitleDesign, Synthesis, and Structure-Activity Relationship Studies of Dual Inhibitors of Soluble Epoxide Hydrolase and 5-Lipoxygenase.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 11498-11521, Year 2020
Publish dateApr 6, 2020 (structure data deposition date)
AuthorsHiesinger, K. / Kramer, J.S. / Beyer, S. / Eckes, T. / Brunst, S. / Flauaus, C. / Wittmann, S.K. / Weizel, L. / Kaiser, A. / Kretschmer, S.B.M. ...Hiesinger, K. / Kramer, J.S. / Beyer, S. / Eckes, T. / Brunst, S. / Flauaus, C. / Wittmann, S.K. / Weizel, L. / Kaiser, A. / Kretschmer, S.B.M. / George, S. / Angioni, C. / Heering, J. / Geisslinger, G. / Schubert-Zsilavecz, M. / Schmidtko, A. / Pogoryelov, D. / Pfeilschifter, J. / Hofmann, B. / Steinhilber, D. / Schwalm, S. / Proschak, E.
External linksJ. Med. Chem. / PubMed:33044073
MethodsX-ray diffraction
Resolution2.001 Å
Structure data

PDB-6yl4:
Soluble epoxide hydrolase in complex with 3-((R)-3-(1-hydroxyureido)but-1-yn-1-yl)-N-((S)-3-phenyl-3-(4-trifluoromethoxy)phenyl)propyl)benzamide
Method: X-RAY DIFFRACTION / Resolution: 2.001 Å

Chemicals

ChemComp-OWW:
3-[(3~{R})-3-[aminocarbonyl(oxidanyl)amino]but-1-ynyl]-~{N}-[(3~{S})-3-phenyl-3-[4-(trifluoromethyloxy)phenyl]propyl]benzamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Inhibitor / Complex / sEH

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