3N4C

6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors

3N4C の概要

• エントリーDOI: 10.2210/pdb3n4c/pdb
• 分子名称: Cathepsin S, (E)-1-(1-methyl-6-{4-[3-(4-methylpiperazin-1-yl)propoxy]-3-(trifluoromethyl)phenyl}-1H-imidazo[4,5-c]pyridin-4-yl)methanimine, DIMETHYL SULFOXIDE, ... (5 entities in total)
• 機能のキーワード: cathepsin s, covalent inhibitor, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 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: 49187.19

構造登録者

Fradera, X.,Uitdehaag, J.C.M.,van Zeeland, M. (登録日: 2010-05-21, 公開日: 2011-04-06, 最終更新日: 2024-11-06)

主引用文献

Cai, J.,Baugh, M.,Black, D.,Long, C.,Jonathan Bennett, D.,Dempster, M.,Fradera, X.,Gillespie, J.,Andrews, F.,Boucharens, S.,Bruin, J.,Cameron, K.S.,Cumming, I.,Hamilton, W.,Jones, P.S.,Kaptein, A.,Kinghorn, E.,Maidment, M.,Martin, I.,Mitchell, A.,Rankovic, Z.,Robinson, J.,Scullion, P.,Uitdehaag, J.C.,Vink, P.,Westwood, P.,van Zeeland, M.,van Berkom, L.,Bastiani, M.,Meulemans, T.
6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile as cathepsin S inhibitors.
Bioorg.Med.Chem.Lett., 20:4350-4354, 2010

PubMed Abstract: 6-Phenyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile analogues were identified as potent and selective cathepsin S inhibitor against both purified enzyme and in human JY cell based cellular assays. This core has a very stable thio-trapping nitrile war-head in comparison with the well reported pyrimidine-2-carbonitrile cysteine cathepsin inhibitors. Compound 47 is also very potent in in vivo mouse spleenic Lip10 accumulation assays.

PubMed: 20598883
DOI: 10.1016/j.bmcl.2010.06.072

実験手法

X-RAY DIFFRACTION (1.9 Å)