7L4W

Crystal structure of human monoacylglycerol lipase in complex with compound 2d

Summary for 7L4W

• Entry DOI: 10.2210/pdb7l4w/pdb
• Descriptor: Monoglyceride lipase, (2s,4R)-2-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-7-oxa-5-azaspiro[3.4]octan-6-one (3 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: 71262.29

Authors

Qin, L.,Gay, S.C.,Lane, W.,Skene, R.J. (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; PubMed: 34328319; DOI: 10.1021/acs.jmedchem.1c00432

Experimental method

X-RAY DIFFRACTION (2.2 Å)