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Structure paper

TitleA practical use of ligand efficiency indices out of the fragment-based approach: ligand efficiency-guided lead identification of soluble epoxide hydrolase inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 54, Page 851-857, Year 2011
Publish dateSep 8, 2010 (structure data deposition date)
AuthorsTanaka, D. / Tsuda, Y. / Shiyama, T. / Nishimura, T. / Chiyo, N. / Tominaga, Y. / Sawada, N. / Mimoto, T. / Kusunose, N.
External linksJ. Med. Chem. / PubMed:21192659
MethodsX-ray diffraction
Resolution1.98 - 2.4 Å
Structure data

PDB-3ans:
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.98 Å

PDB-3ant:
Human soluble epoxide hydrolase in complex with a synthetic inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-S38:
4-cyano-N-[(1S,2R)-2-phenylcyclopropyl]benzamide

ChemComp-HOH:
WATER

ChemComp-S82:
4-[3-(1-methylethyl)-1,2,4-oxadiazol-5-yl]-N-[(1S,2R)-2-phenylcyclopropyl]piperidine-1-carboxamide

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / hydrolase / HYDROLASE-HYDROLASE INHIBITOR complex

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