4DMX

Cathepsin K inhibitor

4DMX の概要

• エントリーDOI: 10.2210/pdb4dmx/pdb
• 関連するPDBエントリー: 4DMY
• 分子名称: Cathepsin K, (1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide, GLYCEROL, ... (4 entities in total)
• 機能のキーワード: cathepsin k inhibitor, osteoarthritis, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Lysosome: P43235
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 24014.05

構造登録者

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. (登録日: 2012-02-08, 公開日: 2012-07-11, 最終更新日: 2018-01-24)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (1.7 Å)