2POG

Benzopyrans as Selective Estrogen Receptor b Agonists (SERBAs). Part 2: Structure Activity Relationship Studies on the Benzopyran Scaffold.

2POG の概要

• エントリーDOI: 10.2210/pdb2pog/pdb
• 関連するPDBエントリー: 2I0G
• 分子名称: Estrogen receptor, (3AS,4R,9BR)-4-(4-HYDROXYPHENYL)-1,2,3,3A,4,9B-HEXAHYDROCYCLOPENTA[C]CHROMEN-9-OL (3 entities in total)
• 機能のキーワード: nuclear receptor, ligand-binding, lipid binding protein
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Isoform 1: Nucleus . Isoform 3: Nucleus. Nucleus: P03372
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 57159.01

構造登録者

Richardson, T.I.,Norman, B.H.,Lugar, C.W.,Jones, S.A.,Wang, Y.,Durbin, J.D.,Krishnan, V.,Dodge, J.A. (登録日: 2007-04-26, 公開日: 2007-09-11, 最終更新日: 2024-02-21)

主引用文献

Richardson, T.I.,Norman, B.H.,Lugar, C.W.,Jones, S.A.,Wang, Y.,Durbin, J.D.,Krishnan, V.,Dodge, J.A.
Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 2: structure-activity relationship studies on the benzopyran scaffold.
Bioorg.Med.Chem.Lett., 17:3570-3574, 2007

PubMed Abstract: Benzopyrans are selective estrogen receptor (ER) beta agonists (SERBAs), which bind the ER subtypes alpha and beta in opposite orientations. Here we describe structure-activity relationship studies that led to the discovery of bezopyran 5b. X-ray crystal structures of 5b and a non-selective analog 5c in ERalpha help explain the observed selectivity of the benzopyran platform.

PubMed: 17485205
DOI: 10.1016/j.bmcl.2007.04.051

実験手法

X-RAY DIFFRACTION (1.84 Å)