7L4T

Crystal structure of human monoacylglycerol lipase in complex with compound 1

7L4T の概要

• エントリーDOI: 10.2210/pdb7l4t/pdb
• 分子名称: Monoglyceride lipase, 6-{4-[(2-chloro-4-fluorophenoxy)methyl]piperidine-1-carbonyl}-2H-1,4-benzoxazin-3(4H)-one, ACETATE ION, ... (5 entities in total)
• 機能のキーワード: inhibitor, serine hydrolase, hydrolase, hydrolase-inhibitor complex, hydrolase/inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 71478.24

構造登録者

Qin, L.,Gay, S.C.,Lane, W.,Skene, R.J. (登録日: 2020-12-21, 公開日: 2021-08-11, 最終更新日: 2023-10-18)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.2 Å)