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TargetAcetylcholinesterase
LigandBDBM50211251
Substrate/Competitorn/a
Meas. Tech.ChEMBL_455571 (CHEMBL886351)
IC50 11.59±n/a nM
Citation Tang, HNing, FXWei, YBHuang, SLHuang, ZSChan, ASGu, LQ Derivatives of oxoisoaporphine alkaloids: a novel class of selective acetylcholinesterase inhibitors. Bioorg Med Chem Lett17:3765-8 (2007) [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:
BDBM50211251
n/a
NameBDBM50211251
Synonyms:3-diethylamino-N-(7-oxo-7H-1-aza-benzo[de]anthracen-9-yl)-propionamide | 9-[3-(Diethylamino)propionamido]-1-azabenzanthrone | CHEMBL429291
TypeSmall organic molecule
Emp. Form.C23H23N3O2
Mol. Mass.373.4476
SMILESCCN(CC)CCC(=O)Nc1ccc-2c(c1)C(=O)c1cccc3ccnc-2c13
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: