4HBP

Crystal Structure of FAAH in complex with inhibitor

4HBP の概要

• エントリーDOI: 10.2210/pdb4hbp/pdb
• 分子名称: Fatty-acid amide hydrolase 1, 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(pyridin-3-yl)piperazine-1-carboxamide (3 entities in total)
• 機能のキーワード: fatty acid amide hydrolase, amidase activity, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Rattus norvegicus (brown rat,rat,rats)
• 細胞内の位置: Endoplasmic reticulum membrane; Single-pass membrane protein: P97612
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 121784.58

構造登録者

Behnke, C.,Skene, R.J. (登録日: 2012-09-28, 公開日: 2013-02-06, 最終更新日: 2024-11-20)

主引用文献

Kono, M.,Matsumoto, T.,Kawamura, T.,Nishimura, A.,Kiyota, Y.,Oki, H.,Miyazaki, J.,Igaki, S.,Behnke, C.A.,Shimojo, M.,Kori, M.
Synthesis, SAR study, and biological evaluation of a series of piperazine ureas as fatty acid amide hydrolase (FAAH) inhibitors.
Bioorg.Med.Chem., 21:28-41, 2013

PubMed Abstract: A series of piperazine ureas was designed, synthesized, and evaluated for their potential as novel orally available fatty acid amide hydrolase (FAAH) inhibitors that are therapeutically effective against pain. We carried out an optimization study of the lead compound 3 to improve its DMPK profile as well as in vitro potency. We identified the thiazole compound 60j with potent inhibitory activity, high brain permeability, and good bioavailability. Compound 60j showed a potent and dose-dependent anti-nociceptive effect in the acetic acid-induced writhing test in mice.

PubMed: 23218778
DOI: 10.1016/j.bmc.2012.11.006

実験手法

X-RAY DIFFRACTION (2.91 Å)