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TitleSustainable Drug Discovery of Multi-Target-Directed Ligands for Alzheimer's Disease.
Journal, issue, pagesJ. Med. Chem., Vol. 64, Page 4972-4990, Year 2021
Publish dateJan 6, 2021 (structure data deposition date)
AuthorsRossi, M. / Freschi, M. / de Camargo Nascente, L. / Salerno, A. / de Melo Viana Teixeira, S. / Nachon, F. / Chantegreil, F. / Soukup, O. / Prchal, L. / Malaguti, M. ...Rossi, M. / Freschi, M. / de Camargo Nascente, L. / Salerno, A. / de Melo Viana Teixeira, S. / Nachon, F. / Chantegreil, F. / Soukup, O. / Prchal, L. / Malaguti, M. / Bergamini, C. / Bartolini, M. / Angeloni, C. / Hrelia, S. / Soares Romeiro, L.A. / Bolognesi, M.L.
External linksJ. Med. Chem. / PubMed:33829779
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-7bgc:
human butyrylcholinesterase in complex with a tacrine-methylanacardate hybrid inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

ChemComp-TKN:
methyl 2-methoxy-6-[(~{E})-8-(1,2,3,4-tetrahydroacridin-9-ylamino)oct-6-enyl]benzoate

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

ChemComp-MES:
2-(N-MORPHOLINO)-ETHANESULFONIC ACID / pH buffer*YM

ChemComp-GOL:
GLYCEROL

ChemComp-CL:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Inhibitor / Alzheimer / butyrylcholinesterase / tacrine / anacardic acid

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