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-Structure paper
Title | Discovery of Trifluoromethyl Glycol Carbamates as Potent and Selective Covalent Monoacylglycerol Lipase (MAGL) Inhibitors for Treatment of Neuroinflammation. |
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Journal, issue, pages | J. Med. Chem., Vol. 61, Page 3008-3026, Year 2018 |
Publish date | Nov 27, 2017 (structure data deposition date) |
Authors | McAllister, L.A. / Butler, C.R. / Mente, S. / O'Neil, S.V. / Fonseca, K.R. / Piro, J.R. / Cianfrogna, J.A. / Foley, T.L. / Gilbert, A.M. / Harris, A.R. ...McAllister, L.A. / Butler, C.R. / Mente, S. / O'Neil, S.V. / Fonseca, K.R. / Piro, J.R. / Cianfrogna, J.A. / Foley, T.L. / Gilbert, A.M. / Harris, A.R. / Helal, C.J. / Johnson, D.S. / Montgomery, J.I. / Nason, D.M. / Noell, S. / Pandit, J. / Rogers, B.N. / Samad, T.A. / Shaffer, C.L. / da Silva, R.G. / Uccello, D.P. / Webb, D. / Brodney, M.A. |
External links | J. Med. Chem. / PubMed:29498843 |
Methods | X-ray diffraction |
Resolution | 2 Å |
Structure data | PDB-6bq0: |
Chemicals | ChemComp-E3A: ChemComp-HOH: |
Source |
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Keywords | Hydrolase/Hydrolase Inhibitor / Monoacylglycerol lipase / covalent inhibitor / SBDD / Hydrolase-Hydrolase Inhibitor complex |