2Q6C

Design and synthesis of novel, conformationally restricted HMG-COA reductase inhibitors

2Q6C の概要

• エントリーDOI: 10.2210/pdb2q6c/pdb
• 関連するPDBエントリー: 2Q1L 2Q6B
• 分子名称: 3-hydroxy-3-methylglutaryl-coenzyme A reductase, SULFATE ION, (3R,5R)-7-[1-(4-FLUOROPHENYL)-3-ISOPROPYL-4-OXO-5-PHENYL-4,5-DIHYDRO-3H-PYRROLO[2,3-C]QUINOLIN-2-YL]-3,5-DIHYDROXYHEPTANOIC ACID, ... (4 entities in total)
• 機能のキーワード: oxidoreductase, cholesterol biosynthesis, hmg-coa, nadph, statin
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Endoplasmic reticulum membrane; Multi-pass membrane protein: P04035
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 192528.95

構造登録者

Pavlovsky, A.,Pfefferkorn, J.A.,Harris, M.S.,Finzel, B.C. (登録日: 2007-06-04, 公開日: 2007-07-17, 最終更新日: 2024-02-21)

主引用文献

Pfefferkorn, J.A.,Choi, C.,Song, Y.,Trivedi, B.K.,Larsen, S.D.,Askew, V.,Dillon, L.,Hanselman, J.C.,Lin, Z.,Lu, G.,Robertson, A.,Sekerke, C.,Auerbach, B.,Pavlovsky, A.,Harris, M.S.,Bainbridge, G.,Caspers, N.
Design and synthesis of novel, conformationally restricted HMG-CoA reductase inhibitors.
Bioorg.Med.Chem.Lett., 17:4531-4537, 2007

PubMed Abstract: Using structure-based design, a novel series of conformationally restricted, pyrrole-based inhibitors of HMG-CoA reductase were discovered. Leading analogs demonstrated potent inhibition of cholesterol synthesis in both in vitro and in vivo models and may be useful for the treatment of hypercholesterolemia and related lipid disorders.

PubMed: 17574411
DOI: 10.1016/j.bmcl.2007.05.097

実験手法

X-RAY DIFFRACTION (2 Å)