2F1G

Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide

2F1G の概要

• エントリーDOI: 10.2210/pdb2f1g/pdb
• 分子名称: Cathepsin S, N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: cathepsin s, noncovalent, inhibition, 2-(benzooxazol-2-ylamino) acetamides, hydrolase
• 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: 49747.97

構造登録者

Spraggon, G.,Hornsby, M.,Lesley, S.A.,Tully, D.C.,Harris, J.L.,Karenewsky, D.S.,Kulathila, R.,Clark, K. (登録日: 2005-11-14, 公開日: 2006-04-04, 最終更新日: 2024-10-09)

主引用文献

Tully, D.C.,Liu, H.,Alper, P.B.,Chatterjee, A.K.,Epple, R.,Roberts, M.J.,Williams, J.A.,Nguyen, K.T.,Woodmansee, D.H.,Tumanut, C.,Li, J.,Spraggon, G.,Chang, J.,Tuntland, T.,Harris, J.L.,Karanewsky, D.S.
Synthesis and evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: Heterocyclic P3.
Bioorg.Med.Chem.Lett., 16:1975-1980, 2006

PubMed Abstract: A series of N(alpha)-2-benzoxazolyl-alpha-amino acid-(arylaminoethyl)amides were identified as potent, selective, and noncovalent inhibitors of cathepsin S. Structure-activity relationships including strategies for modulating the selectivities among cathepsins S, K, and L, and in vivo pharmacokinetics are discussed. A X-ray structure of compound 3 bound to the active site of cathepsin S is also reported.

PubMed: 16446091
DOI: 10.1016/j.bmcl.2005.12.095

実験手法

X-RAY DIFFRACTION (1.9 Å)