2IOK

Human estrogen receptor alpha ligand-binding domain in complex with compound 1D

2IOK の概要

• エントリーDOI: 10.2210/pdb2iok/pdb
• 関連するPDBエントリー: 2IOG
• 分子名称: Estrogen receptor, N-[(1R)-3-(4-HYDROXYPHENYL)-1-METHYLPROPYL]-2-(2-PHENYL-1H-INDOL-3-YL)ACETAMIDE (3 entities in total)
• 機能のキーワード: nuclear receptor, transcription factor, er-alpha, antagonist, transcription
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Isoform 1: Nucleus. Isoform 3: Nucleus: P03372
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 58749.19

構造登録者

Fitzgerald, P.M.D.,Sharma, N. (登録日: 2006-10-10, 公開日: 2007-10-09, 最終更新日: 2023-08-30)

主引用文献

Dykstra, K.D.,Guo, L.,Birzin, E.T.,Chan, W.,Yang, Y.T.,Hayes, E.C.,DaSilva, C.A.,Pai, L.-Y.,Mosley, R.T.,Kraker, B.,Fitzgerald, P.M.D.,DiNinno, F.,Rohrer, S.P.,Schaeffer, J.M.,Hammond, M.L.
Estrogen receptor ligands. Part 16: 2-Aryl indoles as highly subtype selective ligands for ERalpha
Bioorg.Med.Chem.Lett., 17:2322-2328, 2007

PubMed Abstract: A novel class of indole ligands for estrogen receptor alpha have been discovered which exhibit potent affinity and high selectivity. Substitution of the bazedoxifene skeleton to the linker present in the HTS lead 1a provided 22b which was found to be 130-fold alpha-selective and acted as an antagonist of estradiol activity in uterine tissue and MCF-7 cancer cells.

PubMed: 17289385
DOI: 10.1016/j.bmcl.2007.01.054

実験手法

X-RAY DIFFRACTION (2.4 Å)