3O9L

Design and optimisation of new piperidines as renin inhibitors

3O9L の概要

• エントリーDOI: 10.2210/pdb3o9l/pdb
• 関連するPDBエントリー: 3G6Z 3OAD 3OAG
• 分子名称: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, (3R,4S)-N-[2-chloro-5-(3-methoxypropyl)benzyl]-N-cyclopropyl-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidine-3-carboxamide, ... (5 entities in total)
• 機能のキーワード: hydrolase, protease, glycosilation, blood, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Secreted: P00797 P00797
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 76852.37

構造登録者

Corminboeuf, O.,Bezencon, O.,Grisostomi, C.,Remen, L.,Richard-Bildstein, S.,Bur, D.,Prade, L.,Hess, P.,Strickner, P.,Treiber, A. (登録日: 2010-08-04, 公開日: 2011-03-02, 最終更新日: 2024-10-09)

主引用文献

Corminboeuf, O.,Bezencon, O.,Grisostomi, C.,Remen, L.,Richard-Bildstein, S.,Bur, D.,Prade, L.,Hess, P.,Strickner, P.,Fischli, W.,Steiner, B.,Treiber, A.
Design and optimization of new piperidines as renin inhibitors.
Bioorg.Med.Chem.Lett., 20:6286-6290, 2010

PubMed Abstract: The discovery of a new series of piperidine-based renin inhibitors is described herein. SAR optimization upon the P3 renin sub-pocket is described, leading to the discovery of 9 and 41, two bioavailable renin inhibitors orally active at low doses in a transgenic rat model of hypertension.

PubMed: 20843686
DOI: 10.1016/j.bmcl.2010.08.086

実験手法

X-RAY DIFFRACTION (2.4 Å)