Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase
LigandBDBM50435956
Substrate/Competitorn/a
Meas. Tech.ChEMBL_963956 (CHEMBL2393908)
IC50 398±n/a nM
Citation Xie, SSWang, XBLi, JYYang, LKong, LY Design, synthesis and evaluation of novel tacrine-coumarin hybrids as multifunctional cholinesterase inhibitors against Alzheimer's disease. Eur J Med Chem64:540-53 (2013) [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:
BDBM50435956
n/a
NameBDBM50435956
Synonyms:CHEMBL2391490
TypeSmall organic molecule
Emp. Form.C35H42N4O4
Mol. Mass.582.7324
SMILESCc1cc(=O)oc2cc(OCCCCCCN3CCN(CC(=O)Nc4c5CCCCc5nc5ccccc45)CC3)ccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: