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Reaction Details
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TargetAcetylcholinesterase
LigandBDBM50289101
Substrate/Competitorn/a
Meas. Tech.ChEBML_29085
IC50>100000±n/a nM
Citation Jaen, JCGregor, VELee, CDavis, REmmerling, M Acetylcholinesterase inhibition by fused dihydroquinazoline compounds Bioorg Med Chem Lett6:737-742 (1996)    Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:ACES_RAT | Acetylcholinesterase (AChE) | Acetylcholinesterase and butyrylcholinesterase (AChE and BChE) | Acetylcholinesterase precursor | Acetylcholinesterase, AChE | Ache
Type:Enzyme
Mol. Mass.:68193.62
Organism:Rattus norvegicus (rat)
Description:P37136
Residue:614
Sequence:
MRPPWYPLHTPSLASPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGILDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLIWIYGGGFYSGASSLDVYDGRFLAQVEGTVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
ISCLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPDALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPAHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTVEERIFAQRLMQYWTNFARTGDPNDPRDSKSPRWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50289101
n/a
NameBDBM50289101
Synonyms:3-Chloro-12-thioxo-6,7,8,9,10,12-hexahydro-azepino[2,1-b]quinazolin-5-ium | 3-Chloro-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-12-thione | CHEMBL350496
TypeSmall organic molecule
Emp. Form.C13H13ClN2S
Mol. Mass.264.774
SMILESClc1ccc2c(c1)nc1CCCCCn1c2=S
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: