3N4C

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

Summary for 3N4C

• Entry DOI: 10.2210/pdb3n4c/pdb
• Descriptor: 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)
• Functional Keywords: cathepsin s, covalent inhibitor, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P25774
• Total number of polymer chains: 2
• Total formula weight: 49187.19

Authors

Fradera, X.,Uitdehaag, J.C.M.,van Zeeland, M. (deposition date: 2010-05-21, release date: 2011-04-06, Last modification date: 2023-09-06)

• Primary citation: 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: 20598883; DOI: 10.1016/j.bmcl.2010.06.072

Experimental method

X-RAY DIFFRACTION (1.9 Å)