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TargetAcetylcholinesterase
LigandBDBM50139053
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1549983 (CHEMBL3755281)
IC50 6600±n/a nM
Citation Lemes, LFde Andrade Ramos, Gde Oliveira, ASda Silva, FMde Castro Couto, Gda Silva Boni, MGuimarães, MJSouza, INBartolini, MAndrisano, Vdo Nascimento Nogueira, PCSilveira, ERBrand, GDSoukup, OKorábecný, JRomeiro, NCCastro, NGBolognesi, MLRomeiro, LA Cardanol-derived AChE inhibitors: Towards the development of dual binding derivatives for Alzheimer's disease. Eur J Med Chem108:687-700 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:ACES_ELEEL | Acetylcholinesterase (AChE) | Acetylcholinesterase (EeAChE) | ache
Type:Enzyme
Mol. Mass.:71812.79
Organism:Electrophorus electricus (Electric eel)
Description:n/a
Residue:633
Sequence:
MKILDALLFPVIFIMFFIHLSIAQTDPELTIMTRLGQVQGTRLPVPDRSHVIAFLGIPFA
EPPLGKMRFKPPEPKKPWNDVFDARDYPSACYQYVDTSYPGFSGTEMWNPNRMMSEDCLY
LNVWVPATPRPHNLTVMVWIYGGGFYSGSSSLDVYDGRYLAHSEKVVVVSMNYRVSAFGF
LALNGSAEAPGNVGLLDQRLALQWVQDNIHFFGGNPKQVTIFGESAGAASVGMHLLSPDS
RPKFTRAILQSGVPNGPWRTVSFDEARRRAIKLGRLVGCPDGNDTDLIDCLRSKQPQDLI
DQEWLVLPFSGLFRFSFVPVIDGVVFPDTPEAMLNSGNFKDTQILLGVNQNEGSYFLIYG
APGFSKDNESLITREDFLQGVKMSVPHANEIGLEAVILQYTDWMDEDNPIKNREAMDDIV
GDHNVVCPLQHFAKMYAQYSILQGQTGTASQGNLGWGNSGSASNSGNSQVSVYLYMFDHR
ASNLVWPEWMGVIHGYEIEFVFGLPLEKRLNYTLEEEKLSRRMMKYWANFARTGNPNINV
DGSIDSRRRWPVFTSTEQKHVGLNTDSLKVHKGLKSQFCALWNRFLPRLLNVTENIDDAE
RQWKAEFHRWSSYMMHWKNQFDHYSKQERCTNL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50139053
n/a
NameBDBM50139053
Synonyms:CHEMBL3752227
TypeSmall organic molecule
Emp. Form.C25H37NO2
Mol. Mass.383.5668
SMILESCCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: