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TitleNovel Tacrine-Benzofuran Hybrids as Potent Multitarget-Directed Ligands for the Treatment of Alzheimer's Disease: Design, Synthesis, Biological Evaluation, and X-ray Crystallography.
Journal, issue, pagesJ. Med. Chem., Vol. 59, Page 114-131, Year 2016
Publish dateAug 20, 2014 (structure data deposition date)
AuthorsZha, X. / Lamba, D. / Zhang, L. / Lou, Y. / Xu, C. / Kang, D. / Chen, L. / Xu, Y. / De Simone, A. / Samez, S. ...Zha, X. / Lamba, D. / Zhang, L. / Lou, Y. / Xu, C. / Kang, D. / Chen, L. / Xu, Y. / De Simone, A. / Samez, S. / Pesaresi, A. / Stojan, J. / Lopez, M.G. / Egea, J. / Andrisano, V. / Bartolini, M.
External linksJ. Med. Chem. / PubMed:26632651
MethodsX-ray diffraction
Resolution2.8 Å
Structure data

PDB-4w63:
TORPEDO CALIFORNICA ACETYLCHOLINESTERASE IN COMPLEX WITH A TACRINE-BENZOFURAN HYBRID INHIBITOR
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-HTB:
N-(1-benzofuran-2-ylmethyl)-N'-(1,2,3,4-tetrahydroacridin-9-yl)heptane-1,7-diamine

ChemComp-HOH:
WATER

Source
  • torpedo californica (Pacific electric ray)
KeywordsHYDROLASE / multitarget drug / enzyme-inhibitor complex / tacrine / benzofuran

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