2IHQ

Crystal Structure of the Rat Androgen Receptor Ligand Binding Domian Complex with an N-Aryl-Hydroxybicyclohydantoin

2IHQ の概要

• エントリーDOI: 10.2210/pdb2ihq/pdb
• 関連するPDBエントリー: 1I37
• 分子名称: Androgen receptor, 4-[(7R,7AS)-7-HYDROXY-1,3-DIOXOTETRAHYDRO-1H-PYRROLO[1,2-C]IMIDAZOL-2(3H)-YL]-1-NAPHTHONITRILE (3 entities in total)
• 機能のキーワード: androgen receptor, steroid receptor, nuclear receptor, transcription regulation, ligand-binding domain, hormone-growth factor complex, hormone/growth factor
• 由来する生物種: Rattus norvegicus (Norway rat)
• 細胞内の位置: Nucleus: P15207
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 30589.72

構造登録者

Sack, J.S. (登録日: 2006-09-27, 公開日: 2006-12-12, 最終更新日: 2023-08-30)

主引用文献

Sun, C.,Robl, J.A.,Wang, T.C.,Huang, Y.,Kuhns, J.E.,Lupisella, J.A.,Beehler, B.C.,Golla, R.,Sleph, P.G.,Seethala, R.,Fura, A.,Krystek, S.R.,An, Y.,Malley, M.F.,Sack, J.S.,Salvati, M.E.,Grover, G.J.,Ostrowski, J.,Hamann, L.G.
Discovery of potent, orally-active, and muscle-selective androgen receptor modulators based on an N-aryl-hydroxybicyclohydantoin scaffold.
J.Med.Chem., 49:7596-7599, 2006

PubMed Abstract: A novel, N-aryl-bicyclohydantoin selective androgen receptor modulator scaffold was discovered through structure-guided modifications of androgen receptor antagonists. A prototype compound (7R,7aS)-10b from this series is a potent and highly tissue-selective agonist of the androgen receptor. After oral dosing in a rat atrophied levator ani muscle model, (7R,7aS)-10b demonstrated efficacy at restoring levator ani muscle mass to that of intact controls and exhibited >50-fold selectivity for muscle over prostate.

PubMed: 17181141
DOI: 10.1021/jm061101w

実験手法

X-RAY DIFFRACTION (2 Å)