1VSN

Crystal structure of a potent small molecule inhibitor bound to cathepsin K

「2FDZ」から置き換えられました

1VSN の概要

• エントリーDOI: 10.2210/pdb1vsn/pdb
• 分子名称: Cathepsin K, N-(2-AMINOETHYL)-N~2~-{(1S)-1-[4'-(AMINOSULFONYL)BIPHENYL-4-YL]-2,2,2-TRIFLUOROETHYL}-L-LEUCINAMIDE (3 entities in total)
• 機能のキーワード: osteoporosis, structure-guided drug design, proteae, hydrolase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 23517.27

構造登録者

McGrath, M. (登録日: 2007-03-19, 公開日: 2007-04-24, 最終更新日: 2024-10-16)

主引用文献

Li, C.S.,Deschenes, D.,Desmarais, S.,Falgueyret, J.P.,Gauthier, J.Y.,Kimmel, D.B.,McGrath, M.E.,McKay, D.J.,Percival, M.D.,Riendeau, D.,Rodan, S.B.,Truong, V.L.,Wesolowski, G.,Zamboni, R.,Black, W.C.
Identification of a potent and selective non-basic cathepsin K inhibitor.
Bioorg.Med.Chem.Lett., 16:1985-1989, 2006

PubMed Abstract: Based on our previous study with trifluoroethylamine as a P2-P3 amide isostere of cathepsin K inhibitor, further optimization led to identification of compound 22 (L-873724) as a potent and selective non-basic cathepsin K inhibitor. This compound showed excellent pharmacokinetics and efficacy in an ovariectomized (OVX) rhesus monkey model. The volumes of distribution close to unity were consistent with this compound not being lysosomotropic, which is a characteristic of basic cathepsin K inhibitors.

PubMed: 16413777
DOI: 10.1016/j.bmcl.2005.12.071

実験手法

X-RAY DIFFRACTION (2 Å)