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TitleDesign and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides.
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 9346-9361, Year 2012
Publish dateJun 27, 2012 (structure data deposition date)
AuthorsSwahn, B.M. / Kolmodin, K. / Karlstrom, S. / von Berg, S. / Soderman, P. / Holenz, J. / Berg, S. / Lindstrom, J. / Sundstrom, M. / Turek, D. ...Swahn, B.M. / Kolmodin, K. / Karlstrom, S. / von Berg, S. / Soderman, P. / Holenz, J. / Berg, S. / Lindstrom, J. / Sundstrom, M. / Turek, D. / Kihlstrom, J. / Slivo, C. / Andersson, L. / Pyring, D. / Rotticci, D. / Ohberg, L. / Kers, A. / Bogar, K. / von Kieseritzky, F. / Bergh, M. / Olsson, L.L. / Janson, J. / Eketjall, S. / Georgievska, B. / Jeppsson, F. / Falting, J.
External linksJ. Med. Chem. / PubMed:22924815
MethodsX-ray diffraction
Resolution1.79 - 1.83 Å
Structure data

PDB-4azy:
Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10)
Method: X-RAY DIFFRACTION / Resolution: 1.79 Å

PDB-4b00:
Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND (R)-41)
Method: X-RAY DIFFRACTION / Resolution: 1.83 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-NA:
Unknown entry

ChemComp-7F3:
(1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine

ChemComp-HOH:
WATER

ChemComp-I6X:
5-{(1R)-3-amino-4-fluoro-1-[3-(5-prop-1-yn-1-ylpyridin-3-yl)phenyl]-1H-isoindol-1-yl}-1-ethyl-3-methylpyridin-2(1H)-one

Source
  • homo sapiens (human)
KeywordsHYDROLASE / AMINOISOINDOLE / ALZHEIMER'S DISEASE

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