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TitleHighly selective butyrylcholinesterase inhibitors related to Amaryllidaceae alkaloids - Design, synthesis, and biological evaluation.
Journal, issue, pagesEur. J. Med. Chem., Vol. 252, Page 115301-115301, Year 2023
Publish dateFeb 6, 2023 (structure data deposition date)
AuthorsPidany, F. / Kroustkova, J. / Al Mamun, A. / Suchankova, D. / Brazzolotto, X. / Nachon, F. / Chantegreil, F. / Dolezal, R. / Pulkrabkova, L. / Muckova, L. ...Pidany, F. / Kroustkova, J. / Al Mamun, A. / Suchankova, D. / Brazzolotto, X. / Nachon, F. / Chantegreil, F. / Dolezal, R. / Pulkrabkova, L. / Muckova, L. / Hrabinova, M. / Finger, V. / Kufa, M. / Soukup, O. / Jun, D. / Jenco, J. / Kunes, J. / Novakova, L. / Korabecny, J. / Cahlikova, L.
External linksEur. J. Med. Chem. / PubMed:36996715
MethodsX-ray diffraction
Resolution2.65 Å
Structure data

PDB-8cgo:
Structure of human butyrylcholinesterase in complex with N-{[2-(benzyloxy)-3-methoxyphenyl]methyl}-N-[3-(2-fluorophenyl)propyl]cyclobutanamine
Method: X-RAY DIFFRACTION / Resolution: 2.65 Å

Chemicals

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

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

ChemComp-XB8:
~{N}-[3-(2-fluorophenyl)propyl]-~{N}-[(3-methoxy-2-phenylmethoxy-phenyl)methyl]cyclobutanamine

ChemComp-SIA:
N-acetyl-alpha-neuraminic acid

ChemComp-GOL:
GLYCEROL

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Butyrylcholinesterase / inhibitor / complex.

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