Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase
LigandBDBM50014113
Substrate/Competitorn/a
Meas. Tech.ChEMBL_615894
IC50 170±n/a nM
Citation Takahashi, JHijikuro, IKihara, TMurugesh, MGFuse, STsumura, YAkaike, ANiidome, TTakahashi, TSugimoto, H Design, synthesis and evaluation of carbamate-modified (-)-N(1)-phenethylnorphysostigmine derivatives as selective butyrylcholinesterase inhibitors. Bioorg Med Chem Lett20:1721-3 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:AChE | Acetylcholinesterase (AChE) | Acetylcholinesterase (mouse AChE) | Acetylcholinesterase precursor
Type:Enzyme
Mol. Mass.:68165.65
Organism:Mus musculus (mouse)
Description:n/a
Residue:614
Sequence:
MRPPWYPLHTPSLAFPLLFLLLSLLGGGARAEGREDPQLLVRVRGGQLRGIRLKAPGGPV
SAFLGIPFAEPPVGSRRFMPPEPKRPWSGVLDATTFQNVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPASPTPVLIWIYGGGFYSGAASLDVYDGRFLAQVEGAVLVSM
NYRVGTFGFLALPGSREAPGNVGLLDQRLALQWVQENIAAFGGDPMSVTLFGESAGAASV
GMHILSLPSRSLFHRAVLQSGTPNGPWATVSAGEARRRATLLARLVGCPPGGAGGNDTEL
IACLRTRPAQDLVDHEWHVLPQESIFRFSFVPVVDGDFLSDTPEALINTGDFQDLQVLVG
VVKDEGSYFLVYGVPGFSKDNESLISRAQFLAGVRIGVPQASDLAAEAVVLHYTDWLHPE
DPTHLRDAMSAVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLTWPLWMGVPHGY
EIEFIFGLPLDPSLNYTTEERIFAQRLMKYWTNFARTGDPNDPRDSKSPQWPPYTTAAQQ
YVSLNLKPLEVRRGLRAQTCAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQERCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50014113
NameBDBM50014113
Synonyms:3alpha,8-dimethyl-1-phenethyl-1,2,3,3alpha,8,8alpha-hexahydropyrrolo[2,3-b]indol-5-ylmethylcarbamate | CHEMBL75729 | Methyl-carbamic acid 3a,8-dimethyl-1-phenethyl-1,2,3,3a,8,8a-hexahydro-pyrrolo[2,3-b]indol-5-yl ester
TypeSmall organic molecule
Emp. Form.C22H27N3O2
Mol. Mass.365.4687
SMILESCNC(=O)Oc1ccc2N(C)[C@H]3N(CCc4ccccc4)CC[C@@]3(C)c2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a