4DMX

Cathepsin K inhibitor

Summary for 4DMX

• Entry DOI: 10.2210/pdb4dmx/pdb
• Related: 4DMY
• Descriptor: Cathepsin K, (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, GLYCEROL, ... (4 entities in total)
• Functional Keywords: cathepsin k inhibitor, osteoarthritis, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Lysosome: P43235
• Total number of polymer chains: 1
• Total formula weight: 24014.05

Authors

Dossetter, A.G.,Beeley, H.,Bowyer, J.,Cook, C.R.,Crawford, J.J.,Finlayson, J.E.,Heron, N.M.,Heyes, C.,Highton, A.J.,Hudson, J.A.,Kenny, P.W.,Martin, S.,MacFaul, P.A.,McGuire, T.M.,Gutierrez, P.M.,Morley, A.D.,Morris, J.J.,Page, K.M.,Rosenbrier Ribeiro, L.,Sawney, H.,Steinbacher, S.,Krapp, S.,Jestel, A.,Smith, C.,Vickers, M. (deposition date: 2012-02-08, release date: 2012-07-11, Last modification date: 2018-01-24)

• Primary citation: Dossetter, A.G.,Beeley, H.,Bowyer, J.,Cook, C.R.,Crawford, J.J.,Finlayson, J.E.,Heron, N.M.,Heyes, C.,Highton, A.J.,Hudson, J.A.,Jestel, A.,Kenny, P.W.,Krapp, S.,Martin, S.,MacFaul, P.A.,McGuire, T.M.,Gutierrez, P.M.,Morley, A.D.,Morris, J.J.,Page, K.M.,Ribeiro, L.R.,Sawney, H.,Steinbacher, S.,Smith, C.,Vickers, M.; (1R,2R)-N-(1-cyanocyclopropyl)-2-(6-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole-2-carbonyl)cyclohexanecarboxamide (AZD4996): a potent and highly selective cathepsin K inhibitor for the treatment of osteoarthritis.; J.Med.Chem., 55:6363-6374, 2012; PubMed: 22742641; DOI: 10.1021/jm3007257

Experimental method

X-RAY DIFFRACTION (1.7 Å)