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TitleDesign, synthesis and SAR of potent statine-based BACE-1 inhibitors: exploration of P1 phenoxy and benzyloxy residues
Journal, issue, pagesBioorg. Med. Chem., Vol. 16, Page 9471-9486, Year 2008
Publish dateJun 30, 2008 (structure data deposition date)
AuthorsBack, M. / Nyhlen, J. / Kvarnstrom, I. / Appelgren, S. / Borkakoti, N. / Jansson, K. / Lindberg, J. / Nystrom, S. / Hallberg, A. / Rosenquist, S. / Samuelsson, B.
External linksBioorg. Med. Chem. / PubMed:18842420
MethodsX-ray diffraction
Resolution2.6 Å
Structure data

PDB-3dm6:
Beta-secretase 1 complexed with statine-based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

Chemicals

ChemComp-757:
5-[[(2S)-2-[[(3R,4S)-5-(3,5-difluorophenoxy)-3-hydroxy-4-[[3-(methyl-methylsulfonyl-amino)-5-[[(1R)-1-phenylethyl]carbamoyl]phenyl]carbonylamino]pentanoyl]amino]-3-methyl-butanoyl]amino]benzene-1,3-dicarboxylic acid

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / BACE / beta-secretase / statine / inhibitor / Alternative splicing / Aspartyl protease / Glycoprotein / Membrane / Protease / Transmembrane / Zymogen

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