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TitleDiscovery of oxadiazoyl tertiary carbinamine inhibitors of beta-secretase (BACE-1).
Journal, issue, pagesJ. Med. Chem., Vol. 49, Page 7270-7273, Year 2006
Publish dateOct 16, 2006 (structure data deposition date)
AuthorsRajapakse, H.A. / Nantermet, P.G. / Selnick, H.G. / Munshi, S. / McGaughey, G.B. / Lindsley, S.R. / Young, M.B. / Lai, M.T. / Espeseth, A.S. / Shi, X.P. ...Rajapakse, H.A. / Nantermet, P.G. / Selnick, H.G. / Munshi, S. / McGaughey, G.B. / Lindsley, S.R. / Young, M.B. / Lai, M.T. / Espeseth, A.S. / Shi, X.P. / Colussi, D. / Pietrak, B. / Crouthamel, M.C. / Tugusheva, K. / Huang, Q. / Xu, M. / Simon, A.J. / Kuo, L. / Hazuda, D.J. / Graham, S. / Vacca, J.P.
External linksJ. Med. Chem. / PubMed:17149856
MethodsX-ray diffraction
Resolution1.8 - 2.2 Å
Structure data

PDB-2irz:
Crystal structure of human Beta-secretase complexed with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

PDB-2is0:
Crystal structure of human Beta-secretase complexed with inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-I02:
3-{5-[(1R)-1-AMINO-1-METHYL-2-PHENYLETHYL]-1,3,4-OXADIAZOL-2-YL}-N-[(1R)-1-(4-FLUOROPHENYL)ETHYL]-5-[METHYL(METHYLSULFONYL)AMINO]BENZAMIDE

ChemComp-HOH:
WATER

ChemComp-I03:
(2S)-2-AMINO-2-BENZYL-3-HYDROXYPROPYL

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Aspartyl Protease

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