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TargetAcetylcholinesterase
LigandBDBM50464035
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1779749 (CHEMBL4236741)
IC50 21300±n/a nM
Citation Ghobadian, RNadri, HMoradi, ABukhari, SNAMahdavi, MAsadi, MAkbarzadeh, TKhaleghzadeh-Ahangar, HSharifzadeh, MAmini, M Design, synthesis, and biological evaluation of selective and potent Carbazole-based butyrylcholinesterase inhibitors. Bioorg Med Chem26:4952-4962 (2018) [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:
BDBM50464035
n/a
NameBDBM50464035
Synonyms:CHEMBL4249779
TypeSmall organic molecule
Emp. Form.C25H20ClFN2
Mol. Mass.402.891
SMILES[Cl-].Fc1cccc(C[n+]2ccc(Cn3c4ccccc4c4ccccc34)cc2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: