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Reaction Details
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TargetAcetylcholinesterase
LigandBDBM234352
Substrate/Competitorn/a
Meas. Tech.Cholinesterase Inhibition Assay
pH7.3±n/a
Temperature298.15±n/a K
Ki 2070±190 nM
IC50 1510±70 nM
Commentsextracted
Citation Tanarro, CMGütschow, M Hyperbolic mixed-type inhibition of acetylcholinesterase by tetracyclic thienopyrimidines. J Enzyme Inhib Med Chem26:350-8 (2011) [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:
BDBM234352
n/a
NameBDBM234352
Synonyms:9-Benzyl-2,3,4,7,8,9,10,12-octahydro-6H-pyrido[4′,3′:4,5]thieno[2,3-d]pyrimido[1,2-a]pyrimidin-6-one (10)
TypeSmall organic molecule
Emp. Form.C19H20N4OS
Mol. Mass.352.453
SMILESO=C1N2CCCN=C2Nc2sc3CN(Cc4ccccc4)CCc3c12 |c:6|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: