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Title1,4-Oxazine beta-Secretase 1 (BACE1) Inhibitors: From Hit Generation to Orally Bioavailable Brain Penetrant Leads.
Journal, issue, pagesJ. Med. Chem., Vol. 58, Page 8216-8235, Year 2015
Publish dateJul 16, 2015 (structure data deposition date)
AuthorsRombouts, F.J. / Tresadern, G. / Delgado, O. / Martinez-Lamenca, C. / Van Gool, M. / Garcia-Molina, A. / Alonso de Diego, S.A. / Oehlrich, D. / Prokopcova, H. / Alonso, J.M. ...Rombouts, F.J. / Tresadern, G. / Delgado, O. / Martinez-Lamenca, C. / Van Gool, M. / Garcia-Molina, A. / Alonso de Diego, S.A. / Oehlrich, D. / Prokopcova, H. / Alonso, J.M. / Austin, N. / Borghys, H. / Van Brandt, S. / Surkyn, M. / De Cleyn, M. / Vos, A. / Alexander, R. / Macdonald, G. / Moechars, D. / Gijsen, H. / Trabanco, A.A.
External linksJ. Med. Chem. / PubMed:26378740
MethodsX-ray diffraction
Resolution2.61 Å
Structure data

PDB-5clm:
1,4-Oxazine BACE1 inhibitors
Method: X-RAY DIFFRACTION / Resolution: 2.61 Å

Chemicals

ChemComp-52K:
N-{3-[(3R)-5-amino-3-methyl-3,6-dihydro-2H-1,4-oxazin-3-yl]phenyl}-5-chloropyridine-2-carboxamide

ChemComp-IOD:
IODIDE ION

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / BACE1 PROTEASE Inhibitor / orally bioavailable / brain penetrant / PROTEROS BIOSTRUCTURES GMBH

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