3P88

FXR bound to isoquinolinecarboxylic acid

3P88 の概要

• エントリーDOI: 10.2210/pdb3p88/pdb
• 関連するPDBエントリー: 3P89
• 分子名称: Farnesoid X receptor, Nuclear receptor coactivator 1, 7-(4-{[3-(2,6-dimethylphenyl)-5-(1-methylethyl)isoxazol-4-yl]methoxy}phenyl)isoquinoline-3-carboxylic acid, ... (5 entities in total)
• 機能のキーワード: nuclear recptor fxr, transcription-inhibitor complex, transcription/inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Nucleus : B6ZGS9 A8K1V4
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 28875.96

構造登録者

Madauss, K.P.,Williams, S.P.,Deaton, D.N. (登録日: 2010-10-13, 公開日: 2011-08-31, 最終更新日: 2024-02-21)

主引用文献

Bass, J.Y.,Caravella, J.A.,Chen, L.,Creech, K.L.,Deaton, D.N.,Madauss, K.P.,Marr, H.B.,McFadyen, R.B.,Miller, A.B.,Mills, W.Y.,Navas, F.,Parks, D.J.,Smalley, T.L.,Spearing, P.K.,Todd, D.,Williams, S.P.,Wisely, G.B.
Conformationally constrained farnesoid X receptor (FXR) agonists: Heteroaryl replacements of the naphthalene.
Bioorg.Med.Chem.Lett., 21:1206-1213, 2011

PubMed Abstract: To improve on the drug properties of GSK8062 1b, a series of heteroaryl bicyclic naphthalene replacements were prepared. The quinoline 1c was an equipotent FXR agonist with improved drug developability parameters relative to 1b. In addition, analog 1c lowered body weight gain and serum glucose in a DIO mouse model of diabetes.

PubMed: 21256005
DOI: 10.1016/j.bmcl.2010.12.089

実験手法

X-RAY DIFFRACTION (2.95 Å)