3IEJ

Pyrazole-based Cathepsin S Inhibitors with Arylalkynes as P1 Binding Elements

3IEJ の概要

• エントリーDOI: 10.2210/pdb3iej/pdb
• 分子名称: Cathepsin S, 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol (3 entities in total)
• 機能のキーワード: cathepsin s, disulfide bond, glycoprotein, hydrolase, lysosome, polymorphism, protease, thiol protease, zymogen
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Lysosome: P25774
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 49969.69

構造登録者

Bembenek, S. (登録日: 2009-07-22, 公開日: 2009-10-06, 最終更新日: 2021-10-13)

• 主引用文献: Ameriks, M.K.,Axe, F.U.,Bembenek, S.D.,Edwards, J.P.,Gu, Y.,Karlsson, L.,Randal, M.,Sun, S.,Thurmond, R.L.,Zhu, J.; Pyrazole-based cathepsin S inhibitors with arylalkynes as P1 binding elements.; Bioorg.Med.Chem.Lett., 19:6131-6134, 2009; PubMed: 19773165; DOI: 10.1016/j.bmcl.2009.09.014

実験手法

X-RAY DIFFRACTION (2.18 Å)