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TitleStructure activity relationships of 5-, 6-, and 7-methyl-substituted azepan-3-one cathepsin K inhibitors.
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 1597-1612, Year 2006
Publish dateJan 24, 2006 (structure data deposition date)
AuthorsYamashita, D.S. / Marquis, R.W. / Xie, R. / Nidamarthy, S.D. / Oh, H.J. / Jeong, J.U. / Erhard, K.F. / Ward, K.W. / Roethke, T.J. / Smith, B.R. ...Yamashita, D.S. / Marquis, R.W. / Xie, R. / Nidamarthy, S.D. / Oh, H.J. / Jeong, J.U. / Erhard, K.F. / Ward, K.W. / Roethke, T.J. / Smith, B.R. / Cheng, H.Y. / Geng, X. / Lin, F. / Offen, P.H. / Wang, B. / Nevins, N. / Head, M.S. / Haltiwanger, R.C. / Narducci Sarjeant, A.A. / Liable-Sands, L.M. / Zhao, B. / Smith, W.W. / Janson, C.A. / Gao, E. / Tomaszek, T. / McQueney, M. / James, I.E. / Gress, C.J. / Zembryki, D.L. / Lark, M.W. / Veber, D.F.
External linksJ. Med. Chem. / PubMed:16509577
MethodsX-ray diffraction
Resolution2.55 Å
Structure data

PDB-2ftd:
Crystal structure of Cathepsin K complexed with 7-Methyl-Substituted Azepan-3-one compound
Method: X-RAY DIFFRACTION / Resolution: 2.55 Å

Chemicals

ChemComp-ILI:
N-[(1S)-1-({[(3S,4S,7R)-3-HYDROXY-7-METHYL-1-(PYRIDIN-2-YLSULFONYL)-2,3,4,7-TETRAHYDRO-1H-AZEPIN-4-YL]AMINO}CARBONYL)-3-METHYLBUTYL]-1-BENZOFURAN-2-CARBOXAMIDE

ChemComp-HOH:
WATER

Source
  • macaca mulatta (Rhesus monkey)
KeywordsHYDROLASE / Sulfhydryl Proteinase

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