3KM4

Optimization of Orally Bioavailable Alkyl Amine Renin Inhibitors

3KM4 の概要

• エントリーDOI: 10.2210/pdb3km4/pdb
• 関連するPDBエントリー: 3D91 3GW5
• 分子名称: Renin, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, (3R)-3-[(1S)-4-(acetylamino)-1-(3-chlorophenyl)-1-hydroxybutyl]-N-{(1S)-2-cyclohexyl-1-[(methylamino)methyl]ethyl}piperidine-1-carboxamide, ... (5 entities in total)
• 機能のキーワード: renin, aspartate protease, hypertension, renin expression, renin inhibitor, aspartyl protease, cleavage on pair of basic residues, disulfide bond, glycoprotein, hydrolase, protease, secreted, zymogen, 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: 76609.34

構造登録者

Wu, Z.,McKeever, B.M. (登録日: 2009-11-09, 公開日: 2010-01-12, 最終更新日: 2023-09-06)

• 主引用文献: Xu, Z.,Cacatian, S.,Yuan, J.,Simpson, R.D.,Jia, L.,Zhao, W.,Tice, C.M.,Flaherty, P.T.,Guo, J.,Ishchenko, A.,Singh, S.B.,Wu, Z.,McKeever, B.M.,Scott, B.B.,Bukhtiyarov, Y.,Berbaum, J.,Mason, J.,Panemangalore, R.,Cappiello, M.G.,Bentley, R.,Doe, C.P.,Harrison, R.K.,McGeehan, G.M.,Dillard, L.W.,Baldwin, J.J.,Claremon, D.A.; Optimization of orally bioavailable alkyl amine renin inhibitors.; Bioorg.Med.Chem.Lett., 20:694-699, 2010; PubMed: 19959358; DOI: 10.1016/j.bmcl.2009.11.066

実験手法

X-RAY DIFFRACTION (1.9 Å)