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TitleDiscovery of potent BACE-1 inhibitors containing a new hydroxyethylene (HE) scaffold: exploration of P1' alkoxy residues and an aminoethylene (AE) central core
Journal, issue, pagesBioorg. Med. Chem., Vol. 18, Page 1711-1723, Year 2010
Publish dateJun 29, 2009 (structure data deposition date)
AuthorsBjorklund, C. / Adolfsson, H. / Jansson, K. / Lindberg, J. / Vrang, L. / Hallberg, A. / Rosenquist, A. / Samuelsson, B.
External linksBioorg. Med. Chem. / PubMed:20122837
MethodsX-ray diffraction
Resolution2.1 Å
Structure data

PDB-3i25:
Potent Beta-Secretase 1 hydroxyethylene Inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-MV7:
N-[(2S,3S,5R)-1-(3,5-difluorophenoxy)-3-hydroxy-5-(2-methoxyethoxy)-6-[[(2S)-3-methyl-1-oxo-1-(phenylmethylamino)butan-2-yl]amino]-6-oxo-hexan-2-yl]-5-(methyl-methylsulfonyl-amino)-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / BACE / BETA-SECRETASE / INHIBITOR / ASPARTYL PROTEASE / PROTEASE / Alternative splicing / Disulfide bond / Glycoprotein / Membrane / Polymorphism / Transmembrane / Zymogen

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