2BKT

crystal structure of renin-pf00257567 complex

2BKT の概要

• エントリーDOI: 10.2210/pdb2bkt/pdb
• 関連するPDBエントリー: 1BBS 1BIL 1BIM 1HRN 1PR7 1PR8 1RNE 1UHQ 2BKS 2REN
• 分子名称: RENIN, 1-{4-[3-(2-METHOXY-BENZYLOXY)-PROPOXY]-PHENYL}-6-(1,2,,3,4-TETRAHYDRO-QUINOLIN-7-YLOXYMETHYL)-PIPERAZIN-2-ONE (3 entities in total)
• 機能のキーワード: renin, aspartyl protease, hydrolase
• 由来する生物種: HOMO SAPIENS
• 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: 75597.30

構造登録者

Powell, N.A.,Clay, E.H.,Holsworth, D.D.,Edmunds, J.J.,Bryant, J.W.,Ryan, J.M.,Jalaie, M.,Zhang, E. (登録日: 2005-02-18, 公開日: 2006-04-05, 最終更新日: 2024-11-13)

主引用文献

Powell, N.A.,Clay, E.H.,Holsworth, D.D.,Bryant, J.W.,Ryan, J.M.,Jalaie, M.,Zhang, E.,Edmunds, J.J.
Equipotent Activity in Both Enantiomers of a Series of Ketopiperazine-Based Renin Inhibitors
Bioorg.Med.Chem.Lett., 15:2371-, 2005

PubMed Abstract: We have found that both enantiomeric configurations of the 6-alkoxymethyl-1-aryl-2-piperazinone scaffold display equipotent renin inhibition activity and similar SAR patterns. This enantiomeric flexibility is in contrast to a previously reported 3-alkoxymethyl-4-arylpiperidine scaffold.

PubMed: 15837327
DOI: 10.1016/J.BMCL.2005.02.085

実験手法

X-RAY DIFFRACTION (2.3 Å)