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TargetAcetylcholinesterase
LigandBDBM50262456
Substrate/Competitorn/a
Meas. Tech.ChEMBL_514380 (CHEMBL967994)
IC50 52000±n/a nM
Citation León, Rde los Ríos, CMarco-Contelles, JHuertas, OBarril, XLuque, FJLópez, MGGarcía, AGVillarroya, M New tacrine-dihydropyridine hybrids that inhibit acetylcholinesterase, calcium entry, and exhibit neuroprotection properties. Bioorg Med Chem16:7759-69 (2008) [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:
BDBM50262456
n/a
NameBDBM50262456
Synonyms:11-Amino-3,3-dimethyl-12-p-tolyl-2,3,4,7,8,9,10,12-octahydro-5-oxa-6-aza-naphthacen-1-one | CHEMBL478001
TypeSmall organic molecule
Emp. Form.C25H28N2O2
Mol. Mass.388.502
SMILESCc1ccc(cc1)C1C2=C(CC(C)(C)CC2=O)Oc2nc3CCCCc3c(N)c12 |t:9|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: