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TargetAcetylcholinesterase
LigandBDBM179797
Substrate/Competitorn/a
Meas. Tech.AChE Inhibition Assay
pH8±n/a
IC50 470± 23 nM
Commentsextracted
Citation Khunnawutmanotham, NChimnoi, NSaparpakorn, PTechasakul, S Synthesis and anti-acetylcholinesterase activity of scopoletin derivatives. Bioorg Chem65:137-45 (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:
BDBM179797
n/a
NameBDBM179797
Synonyms:1-(2,6-Difluorobenzyl)-4-(((6-methoxycoumarin-7-yl)oxy)methyl)pyridinium bromide (6o)
TypeSmall organic molecule
Emp. Form.C23H18F2NO4
Mol. Mass.410.3896
SMILESCOc1cc2ccc(=O)oc2cc1OCc1cc[n+](Cc2c(F)cccc2F)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: