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Structure paper

TitleDiscovery of polar spirocyclic orally bioavailable urea inhibitors of soluble epoxide hydrolase.
Journal, issue, pagesBioorg. Chem., Vol. 80, Page 655-667, Year 2018
Publish dateFeb 15, 2018 (structure data deposition date)
AuthorsLukin, A. / Kramer, J. / Hartmann, M. / Weizel, L. / Hernandez-Olmos, V. / Falahati, K. / Burghardt, I. / Kalinchenkova, N. / Bagnyukova, D. / Zhurilo, N. ...Lukin, A. / Kramer, J. / Hartmann, M. / Weizel, L. / Hernandez-Olmos, V. / Falahati, K. / Burghardt, I. / Kalinchenkova, N. / Bagnyukova, D. / Zhurilo, N. / Rautio, J. / Forsberg, M. / Ihalainen, J. / Auriola, S. / Leppanen, J. / Konstantinov, I. / Pogoryelov, D. / Proschak, E. / Dar'in, D. / Krasavin, M.
External linksBioorg. Chem. / PubMed:30059891
MethodsX-ray diffraction
Resolution2.262 Å
Structure data

PDB-6fr2:
Soluble epoxide hydrolase in complex with LK864
Method: X-RAY DIFFRACTION / Resolution: 2.262 Å

Chemicals

ChemComp-E3N:
1-[(4~{S})-9-propan-2-ylsulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

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

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