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Structure paper

TitleDiscovery of amino-1,4-oxazines as potent BACE-1 inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 28, Page 2195-2200, Year 2018
Publish dateJan 11, 2018 (structure data deposition date)
AuthorsVeenstra, S.J. / Rueeger, H. / Voegtle, M. / Lueoend, R. / Holzer, P. / Hurth, K. / Tintelnot-Blomley, M. / Frederiksen, M. / Rondeau, J.M. / Jacobson, L. ...Veenstra, S.J. / Rueeger, H. / Voegtle, M. / Lueoend, R. / Holzer, P. / Hurth, K. / Tintelnot-Blomley, M. / Frederiksen, M. / Rondeau, J.M. / Jacobson, L. / Staufenbiel, M. / Neumann, U. / Machauer, R.
External linksBioorg. Med. Chem. Lett. / PubMed:29764741
MethodsX-ray diffraction
Resolution1.54 Å
Structure data

PDB-6fgy:
Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

Chemicals

ChemComp-D9W:
~{N}-[3-[(3~{R})-5-azanyl-3-methyl-2,6-dihydro-1,4-oxazin-3-yl]phenyl]-5-bromanyl-pyridine-2-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / OXAZINE

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