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TitleDiscovery of an Orally Available, Brain Penetrant BACE1 Inhibitor That Affords Robust CNS A(beta) Reduction
Journal, issue, pagesACS Med Chem Lett, Vol. 3, Page 897-902, Year 2012
Publish dateJun 26, 2012 (structure data deposition date)
AuthorsStamford, A.W. / Scott, J.D. / Li, S.W. / Babu, S. / Tadesse, D. / Hunter, R. / Wu, Y. / Misiaszek, J. / Cumming, J.N. / Gilbert, E.J. ...Stamford, A.W. / Scott, J.D. / Li, S.W. / Babu, S. / Tadesse, D. / Hunter, R. / Wu, Y. / Misiaszek, J. / Cumming, J.N. / Gilbert, E.J. / Huang, C. / McKittrick, B.A. / Hong, L. / Guo, T. / Zhu, Z. / Strickland, C. / Orth, P. / Voigt, J.H. / Kennedy, M.E. / Chen, X. / Kuvelkar, R. / Hodgson, R. / Hyde, L.A. / Cox, K. / Favreau, L. / Parker, E.M. / Greenlee, W.J.
External linksACS Med Chem Lett / PubMed:23412139
MethodsX-ray diffraction
Resolution1.7 Å
Structure data

PDB-4frs:
Structure of BACE in complex with (S)-4-(3-chloro-5-(5-(prop-1-yn-1-yl)pyridin-3-yl)thiophen-2-yl)-1,4-dimethyl-6-oxotetrahydropyrimidin-2(1H)-iminium
Method: X-RAY DIFFRACTION / Resolution: 1.7 Å

Chemicals

ChemComp-0V6:
(2Z,6S)-6-{3-chloro-5-[5-(prop-1-yn-1-yl)pyridin-3-yl]thiophen-2-yl}-2-imino-3,6-dimethyltetrahydropyrimidin-4(1H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHydrolase/Hydrolase inhibitor / Alzheimer's / Aspartyl protease / Hydrolase / Hydrolase-Hydrolase inhibitor complex

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