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TitleDiscovery and SAR of isonicotinamide BACE-1 inhibitors that bind beta-secretase in a N-terminal 10s-loop down conformation.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 1788-1792, Year 2007
Publish dateDec 15, 2006 (structure data deposition date)
AuthorsStauffer, S.R. / Stanton, M.G. / Gregro, A.R. / Steinbeiser, M.A. / Shaffer, J.R. / Nantermet, P.G. / Barrow, J.C. / Rittle, K.E. / Collusi, D. / Espeseth, A.S. ...Stauffer, S.R. / Stanton, M.G. / Gregro, A.R. / Steinbeiser, M.A. / Shaffer, J.R. / Nantermet, P.G. / Barrow, J.C. / Rittle, K.E. / Collusi, D. / Espeseth, A.S. / Lai, M.T. / Pietrak, B.L. / Holloway, M.K. / McGaughey, G.B. / Munshi, S.K. / Hochman, J.H. / Simon, A.J. / Selnick, H.G. / Graham, S.L. / Vacca, J.P.
External linksBioorg. Med. Chem. Lett. / PubMed:17257835
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-2oah:
Crystal Structure of Human Beta Secretase Complexed with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-QIN:
N-[(1S,2S)-2-AMINO-1-(3-THIENYLMETHYL)HEXYL]-2-({[(1S,2S)-2-METHYLCYCLOPROPYL]METHYL}AMINO)-6-[METHYL(METHYLSULFONYL)AMINO]ISONICOTINAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / ASPARTYL PROTEASE / BACE

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