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TitleDiscovery of 7-tetrahydropyran-2-yl chromans: beta-site amyloid precursor protein cleaving enzyme 1 (BACE1) inhibitors that reduce amyloid beta-protein (A beta ) in the central nervous system.
Journal, issue, pagesJ. Med. Chem., Vol. 57, Page 878-902, Year 2014
Publish dateSep 30, 2013 (structure data deposition date)
AuthorsThomas, A.A. / Hunt, K.W. / Volgraf, M. / Watts, R.J. / Liu, X. / Vigers, G. / Smith, D. / Sammond, D. / Tang, T.P. / Rhodes, S.P. ...Thomas, A.A. / Hunt, K.W. / Volgraf, M. / Watts, R.J. / Liu, X. / Vigers, G. / Smith, D. / Sammond, D. / Tang, T.P. / Rhodes, S.P. / Metcalf, A.T. / Brown, K.D. / Otten, J.N. / Burkard, M. / Cox, A.A. / Do, M.K. / Dutcher, D. / Rana, S. / DeLisle, R.K. / Regal, K. / Wright, A.D. / Groneberg, R. / Scearce-Levie, K. / Siu, M. / Purkey, H.E. / Lyssikatos, J.P. / Gunawardana, I.W.
External linksJ. Med. Chem. / PubMed:24397738
MethodsX-ray diffraction
Resolution1.8 Å
Structure data

PDB-4n00:
Discovery of 7-THP chromans: BACE1 inhibitors that reduce A-beta in the CNS
Method: X-RAY DIFFRACTION / Resolution: 1.8 Å

Chemicals

ChemComp-NI:
NICKEL (II) ION

ChemComp-2EX:
(4R,4a'S,10a'S)-2-amino-8'-(2-fluoropyridin-3-yl)-1-methyl-3',4',4a',10a'-tetrahydro-1'H-spiro[imidazole-4,10'-pyrano[4,3-b]chromen]-5(1H)-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
Keywordshydrolase/hydrolase inhibitor / Aspartyl protease / hydrolase-hydrolase inhibitor complex

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