3FLI

Discovery of XL335, a Highly Potent, Selective and Orally-Active Agonist of the Farnesoid X Receptor (FXR)

3FLI の概要

• エントリーDOI: 10.2210/pdb3fli/pdb
• 分子名称: Bile acid receptor, 1-methylethyl 3-[(3,4-difluorophenyl)carbonyl]-1,1-dimethyl-1,2,3,6-tetrahydroazepino[4,5-b]indole-5-carboxylate (3 entities in total)
• 機能のキーワード: fxr, bar, nr1h4, bile acid receptor, nuclear receptor, ligand-binding domain, alpha-helical sandwich, transcriptional regulator, dna-binding, metal-binding, nucleus, repressor, transcription, activator, alternative splicing, receptor, transcription regulation, zinc, zinc-finger
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus (Probable): Q96RI1
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 27385.38

構造登録者

Foster, P.G.,Stout, T.J. (登録日: 2008-12-18, 公開日: 2009-12-22, 最終更新日: 2024-02-21)

• 主引用文献: Flatt, B.,Martin, R.,Wang, T.L.,Mahaney, P.,Murphy, B.,Gu, X.H.,Foster, P.,Li, J.,Pircher, P.,Petrowski, M.,Schulman, I.,Westin, S.,Wrobel, J.,Yan, G.,Bischoff, E.,Daige, C.,Mohan, R.; Discovery of XL335 (WAY-362450), a highly potent, selective, and orally active agonist of the farnesoid X receptor (FXR).; J.Med.Chem., 52:904-907, 2009; PubMed: 19159286; DOI: 10.1021/jm8014124

実験手法

X-RAY DIFFRACTION (2 Å)