3N3G

4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important

Summary for 3N3G

• Entry DOI: 10.2210/pdb3n3g/pdb
• Descriptor: Cathepsin S, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE, ... (8 entities in total)
• Functional Keywords: cathepsin s, covalent inhibitor, hydrolase
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P25774
• Total number of polymer chains: 2
• Total formula weight: 49695.70

Authors

Fradera, X.,Uitdehaag, J.C.M.,van Zeeland, M. (deposition date: 2010-05-20, release date: 2010-07-14, Last modification date: 2011-07-13)

• Primary citation: Cai, J.,Fradera, X.,van Zeeland, M.,Dempster, M.,Cameron, K.S.,Bennett, D.J.,Robinson, J.,Popplestone, L.,Baugh, M.,Westwood, P.,Bruin, J.,Hamilton, W.,Kinghorn, E.,Long, C.,Uitdehaag, J.C.; 4-(3-Trifluoromethylphenyl)-pyrimidine-2-carbonitrile as cathepsin S inhibitors: N3, not N1 is critically important.; Bioorg.Med.Chem.Lett., 20:4507-4510, 2010; PubMed: 20580231; DOI: 10.1016/j.bmcl.2010.06.043

Experimental method

X-RAY DIFFRACTION (1.6 Å)