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TitleBalancing potency and basicity by incorporating fluoropyridine moieties: Discovery of a 1-amino-3,4-dihydro-2,6-naphthyridine BACE1 inhibitor that affords robust and sustained central A beta reduction.
Journal, issue, pagesEur. J. Med. Chem., Vol. 216, Page 113270-113270, Year 2021
Publish dateSep 18, 2020 (structure data deposition date)
AuthorsNakahara, K. / Mitsuoka, Y. / Kasuya, S. / Yamamoto, T. / Yamamoto, S. / Ito, H. / Kido, Y. / Kusakabe, K.I.
External linksEur. J. Med. Chem. / PubMed:33765486
MethodsX-ray diffraction
Resolution2.3 Å
Structure data

PDB-7d36:
Crystal Structure of BACE1 in complex with N-{3-[(3S)-1-amino-5-fluoro-3-methyl-3,4-dihydro-2,6-naphthyridin-3-yl]-4-fluorophenyl}-5-cyano-3-methylpyridine-2-carboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.3 Å

Chemicals

ChemComp-IOD:
IODIDE ION

ChemComp-GOL:
GLYCEROL

ChemComp-GUC:
N-[3-[(3S)-1-azanyl-5-fluoranyl-3-methyl-4H-2,6-naphthyridin-3-yl]-4-fluoranyl-phenyl]-5-cyano-3-methyl-pyridine-2-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / BACE1

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