3FEJ

Design and biological evaluation of novel, balanced dual PPARa/g agonists

3FEJ の概要

• エントリーDOI: 10.2210/pdb3fej/pdb
• 関連するPDBエントリー: 3FEI
• 分子名称: Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1, (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, ... (4 entities in total)
• 機能のキーワード: nuclear recpetor, transcription factor, diabetes, activator, alternative splicing, diabetes mellitus, disease mutation, dna-binding, metal-binding, nucleus, obesity, phosphoprotein, polymorphism, receptor, transcription, transcription regulation, zinc, zinc-finger
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Nucleus: P37231; Nucleus (By similarity): Q15788
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 32900.65

構造登録者

Benz, J.,Grether, U.,Gsell, B.,Binggeli, A.,Hilpert, H.,Kuhn, B.,Maerki, H.P.,Mohr, P.,Ruf, A.,Stihle, M. (登録日: 2008-11-30, 公開日: 2009-10-20, 最終更新日: 2023-12-27)

主引用文献

Grether, U.,Benardeau, A.,Benz, J.,Binggeli, A.,Blum, D.,Hilpert, H.,Kuhn, B.,Maerki, H.P.,Meyer, M.,Mohr, P.,Puntener, K.,Raab, S.,Ruf, A.,Schlatter, D.
Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4:951-956, 2009

PubMed Abstract: An X-ray-guided design approach led to the identification of a novel, balanced class of alpha-ethoxy-phenylpropionic acid-derived dual PPARalpha/gamma agonists. The series shows a wide range of PPARalpha/gamma ratios within a rather narrow structural space. Advanced compounds possess favorable physicochemical and pharmacokinetic profiles and show a high efficacy in T2D and dyslipidemia animal models.

PubMed: 19326383
DOI: 10.1002/cmdc.200800425

実験手法

X-RAY DIFFRACTION (2.01 Å)