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TitlePotent and selective isophthalamide S(2) hydroxyethylamine inhibitors of BACE1.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 17, Page 3378-3383, Year 2007
Publish dateMar 21, 2007 (structure data deposition date)
AuthorsKortum, S.W. / Benson, T.E. / Bienkowski, M.J. / Emmons, T.L. / Prince, D.B. / Paddock, D.J. / Tomasselli, A.G. / Moon, J.B. / Laborde, A. / Tenbrink, R.E.
External linksBioorg. Med. Chem. Lett. / PubMed:17434734
MethodsX-ray diffraction
Resolution2.5 Å
Structure data

PDB-2p83:
Potent and selective isophthalamide S2 hydroxyethylamine inhibitor of BACE1
Method: X-RAY DIFFRACTION / Resolution: 2.5 Å

Chemicals

ChemComp-PO4:
PHOSPHATE ION

ChemComp-MR0:
N~3~-{(1S,2R)-1-(3,5-DIFLUOROBENZYL)-2-HYDROXY-3-[(3-METHOXYBENZYL)AMINO]PROPYL}-N~1~,N~1~-DIPROPYLBENZENE-1,3,5-TRICARBOXAMIDE

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / protein-inhibitor complex

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