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TitleDiscovery of AM-6494: A Potent and Orally Efficacious beta-Site Amyloid Precursor Protein Cleaving Enzyme 1 (BACE1) Inhibitor with in Vivo Selectivity over BACE2.
Journal, issue, pagesJ. Med. Chem., Vol. 63, Page 2263-2281, Year 2020
Publish dateJul 31, 2019 (structure data deposition date)
AuthorsPettus, L.H. / Bourbeau, M.P. / Bradley, J. / Bartberger, M.D. / Chen, K. / Hickman, D. / Johnson, M. / Liu, Q. / Manning, J.R. / Nanez, A. ...Pettus, L.H. / Bourbeau, M.P. / Bradley, J. / Bartberger, M.D. / Chen, K. / Hickman, D. / Johnson, M. / Liu, Q. / Manning, J.R. / Nanez, A. / Siegmund, A.C. / Wen, P.H. / Whittington, D.A. / Allen, J.R. / Wood, S.
External linksJ. Med. Chem. / PubMed:31589043
MethodsX-ray diffraction
Resolution1.85 Å
Structure data

PDB-6pz4:
co-crystal structure of BACE with inhibitor AM-6494
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

Chemicals

ChemComp-IOD:
IODIDE ION

ChemComp-GOL:
GLYCEROL

ChemComp-P6J:
N-{3-[(1S,5S,6S)-3-amino-1-(methoxymethyl)-5-methyl-2-thia-4-azabicyclo[4.1.0]hept-3-en-5-yl]-4,5-difluorophenyl}-5-[(prop-2-yn-1-yl)oxy]pyrazine-2-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / BACE / inhibitor / HYDROLASE-HYDROLASE INHIBITOR complex

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