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TitleNoncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency.
Journal, issue, pagesJ. Med. Chem., Vol. 61, Page 10545-10557, Year 2018
Publish dateFeb 19, 2018 (structure data deposition date)
AuthorsKnutsson, S. / Engdahl, C. / Kumari, R. / Forsgren, N. / Lindgren, C. / Kindahl, T. / Kitur, S. / Wachira, L. / Kamau, L. / Ekstrom, F. / Linusson, A.
External linksJ. Med. Chem. / PubMed:30339371
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-6fsd:
Mus musculus acetylcholinesterase in complex with 2-(4-Biphenylyloxy)-N-[3-(1-piperidinyl)propyl]-acetamide hydrochloride (10)
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-6fse:
Mus musculus acetylcholinesterase in complex with 1-(4-(4-Ethylpiperazin-1-yl)piperidin-1-yl)-2-((4'-methoxy-[1,1'-biphenyl]-4-yl)oxy)ethanone dihydrochloride (15)
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-E5H:
2-(4-phenylphenoxy)-~{N}-(3-piperidin-1-ylpropyl)ethanamide

ChemComp-TOE:
2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXYL

ChemComp-PG0:
2-(2-METHOXYETHOXY)ETHANOL / inhibitor, precipitant*YM

ChemComp-1PG:
2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL

ChemComp-HOH:
WATER

ChemComp-E5K:
1-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]-2-[4-(4-methoxyphenyl)phenoxy]ethanone

ChemComp-PEG:
DI(HYDROXYETHYL)ETHER

Source
  • mus musculus (house mouse)
KeywordsPROTEIN BINDING / Inhibitor / hydrolase / acetylcholinesterase

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