7L4U
Crystal structure of human monoacylglycerol lipase in complex with compound 1h
Summary for 7L4U
Entry DOI | 10.2210/pdb7l4u/pdb |
Descriptor | Monoglyceride lipase, (5S)-5-(3-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidin-1-yl}-3-oxopropyl)pyrrolidin-2-one, CHLORIDE ION, ... (4 entities in total) |
Functional Keywords | inhibitor, serine hydrolase, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 2 |
Total formula weight | 71269.78 |
Authors | Qin, L.,Lane, W.,Skene, R.J.,Dougan, D. (deposition date: 2020-12-21, release date: 2021-08-11, Last modification date: 2023-10-18) |
Primary citation | Ikeda, S.,Sugiyama, H.,Tokuhara, H.,Murakami, M.,Nakamura, M.,Oguro, Y.,Aida, J.,Morishita, N.,Sogabe, S.,Dougan, D.R.,Gay, S.C.,Qin, L.,Arimura, N.,Takahashi, Y.,Sasaki, M.,Kamada, Y.,Aoyama, K.,Kimoto, K.,Kamata, M. Design and Synthesis of Novel Spiro Derivatives as Potent and Reversible Monoacylglycerol Lipase (MAGL) Inhibitors: Bioisosteric Transformation from 3-Oxo-3,4-dihydro-2 H -benzo[ b ][1,4]oxazin-6-yl Moiety. J.Med.Chem., 64:11014-11044, 2021 Cited by PubMed: 34328319DOI: 10.1021/acs.jmedchem.1c00432 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.25 Å) |
Structure validation
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