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TitleRational design and synthesis of aminopiperazinones as beta-secretase (BACE) inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 21, Page 7255-7260, Year 2011
Publish dateOct 12, 2011 (structure data deposition date)
AuthorsTresadern, G. / Delgado, F. / Delgado, O. / Gijsen, H. / Macdonald, G.J. / Moechars, D. / Rombouts, F. / Alexander, R. / Spurlino, J. / Van Gool, M. ...Tresadern, G. / Delgado, F. / Delgado, O. / Gijsen, H. / Macdonald, G.J. / Moechars, D. / Rombouts, F. / Alexander, R. / Spurlino, J. / Van Gool, M. / Vega, J.A. / Trabanco, A.A.
External linksBioorg. Med. Chem. Lett. / PubMed:22071305
MethodsX-ray diffraction
Resolution2.199 Å
Structure data

PDB-3u6a:
Rational Design and Synthesis of Aminopiperazinones as Beta Secretase (BACE) Inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.199 Å

Chemicals

ChemComp-18P:
N-{3-[(2R)-6-amino-2,4-dimethyl-3-oxo-2,3,4,5-tetrahydropyrazin-2-yl]phenyl}-5-chloropyridine-2-carboxamide

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/HYDROLASE INHIBITOR / beta-site APP cleaving enzyme 1 / HYDROLASE-HYDROLASE INHIBITOR complex

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