3VYE

Human renin in complex with inhibitor 7

3VYE の概要

• エントリーDOI: 10.2210/pdb3vye/pdb
• 関連するPDBエントリー: 3VYD 3VYF
• 分子名称: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose, (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]-N-(3-methylbutyl)piperidine-3-carboxamide, ... (4 entities in total)
• 機能のキーワード: aspartyl protease, ras, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Secreted: P00797
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 75846.44

構造登録者

Takahashi, M.,Matsui, Y.,Hanzawa, H. (登録日: 2012-09-24, 公開日: 2012-12-19, 最終更新日: 2024-10-30)

主引用文献

Mori, Y.,Ogawa, Y.,Mochizuki, A.,Nakamura, Y.,Sugita, C.,Miyazaki, S.,Tamaki, K.,Matsui, Y.,Takahashi, M.,Nagayama, T.,Nagai, Y.,Inoue, S.,Nishi, T.
Design and discovery of new (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides as potent renin inhibitors
Bioorg.Med.Chem.Lett., 22:7677-7682, 2012

PubMed Abstract: Utilizing X-ray crystal structure analysis, (3S,5R)-5-[4-(2-chlorophenyl)-2,2-dimethyl-5-oxopiperazin-1-yl]piperidine-3-carboxamides were designed and identified as renin inhibitors. The most potent compound 15 demonstrated favorable pharmacokinetic and pharmacodynamic profiles in rat.

PubMed: 23122821
DOI: 10.1016/j.bmcl.2012.09.103

実験手法

X-RAY DIFFRACTION (2.7 Å)