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TitleDesign, synthesis, and SAR of macrocyclic tertiary carbinamine BACE-1 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 4057-4061, Year 2007
Publish dateApr 10, 2007 (structure data deposition date)
AuthorsLindsley, S.R. / Moore, K.P. / Rajapakse, H.A. / Selnick, H.G. / Young, M.B. / Zhu, H. / Munshi, S. / Kuo, L. / McGaughey, G.B. / Colussi, D. ...Lindsley, S.R. / Moore, K.P. / Rajapakse, H.A. / Selnick, H.G. / Young, M.B. / Zhu, H. / Munshi, S. / Kuo, L. / McGaughey, G.B. / Colussi, D. / Crouthamel, M.C. / Lai, M.T. / Pietrak, B. / Price, E.A. / Sankaranarayanan, S. / Simon, A.J. / Seabrook, G.R. / Hazuda, D.J. / Pudvah, N.T. / Hochman, J.H. / Graham, S.L. / Vacca, J.P. / Nantermet, P.G.
External linksBioorg. Med. Chem. Lett. / PubMed:17482814
MethodsX-ray diffraction
Resolution2 Å
Structure data

PDB-2ph6:
Crystal Structure of Human Beta Secretase Complexed with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-712:
3-({[(1R)-1-(4-FLUOROPHENYL)ETHYL]AMINO}CARBONYL)-5-[METHYL(METHYLSULFONYL)AMINO]BENZYL ALPHA-METHYL-D-PHENYLALANINATE

ChemComp-HOH:
WATER

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

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