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-Structure paper
Title | (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. |
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Journal, issue, pages | J. Med. Chem., Vol. 55, Page 6363-6374, Year 2012 |
Publish date | Feb 8, 2012 (structure data deposition date) |
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. ...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. |
External links | J. Med. Chem. / PubMed:22742641 |
Methods | X-ray diffraction |
Resolution | 1.63 - 1.7 Å |
Structure data | PDB-4dmx: PDB-4dmy: |
Chemicals | ChemComp-0LB: ChemComp-GOL: ChemComp-HOH: ChemComp-0LC: ChemComp-SO4: |
Source |
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Keywords | Hydrolase/Hydrolase inhibitor / Cathepsin K inhibitor / osteoarthritis / Hydrolase-Hydrolase inhibitor complex |