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TargetAcetylcholinesterase
LigandBDBM50119783
Substrate/Competitorn/a
Meas. Tech.ChEMBL_616422 (CHEMBL1100708)
IC50 1270000±n/a nM
Citation Musilek, KKomloova, MZavadova, VHolas, OHrabinova, MPohanka, MDohnal, VNachon, FDolezal, MKuca, KJung, YS Preparation and in vitro screening of symmetrical bispyridinium cholinesterase inhibitors bearing different connecting linkage-initial study for Myasthenia gravis implications. Bioorg Med Chem Lett20:1763-6 (2010) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:Enzyme
Mol. Mass.:67792.70
Organism:Homo sapiens (Human)
Description:P22303
Residue:614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50119783
n/a
NameBDBM50119783
Synonyms:1,1''-(pentane-1,5-diyl)dipyridinium iodide | 1-(5-pyridinium-1-ylpentyl)pyridinium;diiodide | CHEMBL103044 | CHEMBL1088019
TypeSmall organic molecule
Emp. Form.C15H20N2
Mol. Mass.228.3316
SMILESC(CC[n+]1ccccc1)CC[n+]1ccccc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: