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Structure paper

TitleDiscovery of furo[2,3-d][1,3]thiazinamines as beta amyloid cleaving enzyme-1 (BACE1) inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 26, Page 5729-5731, Year 2016
Publish dateOct 18, 2016 (structure data deposition date)
AuthorsWu, Y.J. / Guernon, J. / Rajamani, R. / Toyn, J.H. / Ahlijanian, M.K. / Albright, C.F. / Muckelbauer, J. / Chang, C. / Camac, D. / Macor, J.E. / Thompson, L.A.
External linksBioorg. Med. Chem. Lett. / PubMed:27816517
MethodsX-ray diffraction
Resolution2.51 Å
Structure data

PDB-5tol:
CRYSTAL STRUCTURE OF BETA-SITE APP-CLEAVING ENZYME 1 COMPLEXED WITH N-(3-((4AS,7AS)-2-AMINO-4,4A,5,6-TETRAHYDRO-7AH-FURO[2,3-D][1,3]THIAZIN-7A-YL)-4-FLUOROPHENYL)-5-BROMO-2-PYRIDINECARBOXAMIDE
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

Chemicals

ChemComp-7H3:
N-{3-[(4aR,7aR)-2-amino-4,4a,5,6-tetrahydro-7aH-furo[2,3-d][1,3]thiazin-7a-yl]-4-fluorophenyl}-5-bromopyridine-2-carboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / ASPARTYL PROTEASE / BACE1 / KIAA1149 / ASP2 / FLJ90568 / BACE / HSPC104

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