5FQS

Selective estrogen receptor downregulator antagonists: Tetrahydroisoquinoline phenols 3.

5FQS の概要

• エントリーDOI: 10.2210/pdb5fqs/pdb
• 関連するPDBエントリー: 5FQP 5FQR 5FQT 5FQV
• 分子名称: ESTROGEN RECEPTOR, (E)-3-[4-(6-HYDROXY-2-ISOBUTYL-1-METHYL-3,4-DIHYDROISOQUINOLIN-1-YL)PHENYL]PROP-2-ENOIC ACID (3 entities in total)
• 機能のキーワード: signaling protein, breast cancer, estrogen receptor downregulator, fulvestrant, thiq, nuclear hormone receptor
• 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: 1
• 化学式量合計: 28623.58

構造登録者

Scott, J.S.,Bailey, A.,Davies, R.D.M.,Degorce, S.L.,MacFaul, P.A.,Gingell, H.,Moss, T.,Norman, R.A.,Pink, J.H.,Rabow, A.A.,Roberts, B.,Smith, P.D. (登録日: 2015-12-14, 公開日: 2016-02-10, 最終更新日: 2024-05-08)

主引用文献

Scott, J.S.,Bailey, A.,Davies, R.D.M.,Degorce, S.L.,MacFaul, P.A.,Gingell, H.,Moss, T.,Norman, R.A.,Pink, J.H.,Rabow, A.A.,Roberts, B.,Smith, P.D.
Tetrahydroisoquinoline Phenols: Selective Estrogen Receptor Downregulator Antagonists with Oral Bioavailability in Rat.
Acs Med.Chem.Lett., 7:94-, 2016

PubMed Abstract: A series of tetrahydroisoquinoline phenols was modified to give an estrogen receptor downregulator-antagonist profile. Optimization around the core, alkyl side chain, and pendant aryl ring resulted in compounds with subnanomolar levels of potency. The phenol functionality was shown to be required to achieve highly potent compounds, but unusually this was compatible with obtaining high oral bioavailabilities in rat.

PubMed: 26819673
DOI: 10.1021/ACSMEDCHEMLETT.5B00413

実験手法

X-RAY DIFFRACTION (1.94 Å)