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Structure paper

TitleDiscovery of AZD3839, a potent and selective BACE1 inhibitor clinical candidate for the treatment of Alzheimer disease.
Journal, issue, pagesJ. Biol. Chem., Vol. 287, Page 41245-41257, Year 2012
Publish dateJun 28, 2012 (structure data deposition date)
AuthorsJeppsson, F. / Eketjall, S. / Janson, J. / Karlstrom, S. / Gustavsson, S. / Olsson, L.L. / Radesater, A.C. / Ploeger, B. / Cebers, G. / Kolmodin, K. ...Jeppsson, F. / Eketjall, S. / Janson, J. / Karlstrom, S. / Gustavsson, S. / Olsson, L.L. / Radesater, A.C. / Ploeger, B. / Cebers, G. / Kolmodin, K. / Swahn, B.M. / von Berg, S. / Bueters, T. / Falting, J.
External linksJ. Biol. Chem. / PubMed:23048024
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-4b05:
Preclinical characterization of AZD3839, a novel clinical candidate BACE1 inhibitor for the treatment of Alzheimer Disease
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-ACT:
ACETATE ION

ChemComp-NA:
Unknown entry

ChemComp-32D:
(1S)-1-[2-(difluoromethyl)pyridin-4-yl]-4-fluoro-1-(3-pyrimidin-5-ylphenyl)-1H-isoindol-3-amine

ChemComp-HOH:
WATER

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

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