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TitleAzetidine and Piperidine Carbamates as Efficient, Covalent Inhibitors of Monoacylglycerol Lipase.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 9860-9873, Year 2017
Publish dateSep 6, 2017 (structure data deposition date)
AuthorsButler, C.R. / Beck, E.M. / Harris, A. / Huang, Z. / McAllister, L.A. / Am Ende, C.W. / Fennell, K. / Foley, T.L. / Fonseca, K. / Hawrylik, S.J. ...Butler, C.R. / Beck, E.M. / Harris, A. / Huang, Z. / McAllister, L.A. / Am Ende, C.W. / Fennell, K. / Foley, T.L. / Fonseca, K. / Hawrylik, S.J. / Johnson, D.S. / Knafels, J.D. / Mente, S. / Noell, G.S. / Pandit, J. / Phillips, T.B. / Piro, J.R. / Rogers, B.N. / Samad, T.A. / Wang, J. / Wan, S. / Brodney, M.A.
External linksJ. Med. Chem. / PubMed:29148769
MethodsX-ray diffraction
Resolution2.26 Å
Structure data

PDB-6ax1:
Structure of human monoacylglycerol lipase bound to a covalent inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.26 Å

Chemicals

ChemComp-C0S:
1,1,1,3,3,3-hexafluoropropan-2-yl 3-(3-phenyl-1,2,4-oxadiazol-5-yl)azetidine-1-carboxylate

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE Inhibitor / Monoacylglycerol lipase / covalent inhibitor / SBDD / HYDROLASE / HYDROLASE-HYDROLASE Inhibitor complex

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