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TitlePredicting the Binding of Fatty Acid Amide Hydrolase Inhibitors by Free Energy Perturbation.
Journal, issue, pagesJ Chem Theory Comput, Vol. 14, Page 5815-5822, Year 2018
Publish dateOct 12, 2018 (structure data deposition date)
AuthorsSaha, A. / Shih, A.Y. / Mirzadegan, T. / Seierstad, M.
External linksJ Chem Theory Comput / PubMed:30289722
MethodsX-ray diffraction
Resolution2.77 Å
Structure data

PDB-6mrg:
FAAH bound to non covalent inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.77 Å

Chemicals

ChemComp-JXV:
(1R)-2-{[6-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrimidin-4-yl]amino}-1-phenylethan-1-ol

ChemComp-HOH:
WATER

Source
  • rattus norvegicus (Norway rat)
KeywordsHYDROLASE/INHIBITOR / Complex / HYDROLASE-INHIBITOR complex

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