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TargetAcetylcholinesterase
LigandBDBM50336123
Substrate/Competitorn/a
Meas. Tech.ChEMBL_718128 (CHEMBL1671581)
IC50 2000±n/a nM
Citation Musilek, KKomloova, MHolas, OHrabinova, MPohanka, MDohnal, VNachon, FDolezal, MKuca, K Preparation and in vitro screening of symmetrical bis-isoquinolinium cholinesterase inhibitors bearing various connecting linkage--implications for early Myasthenia gravis treatment. Eur J Med Chem46:811-8 (2011) [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:
BDBM50336123
n/a
NameBDBM50336123
Synonyms:1,3-Bis(isoquinolinium)-2-oxaprop-1,3-diyl dichloride | CHEMBL1669487
TypeSmall organic molecule
Emp. Form.C20H18N2O
Mol. Mass.302.3686
SMILESC(OC[n+]1ccc2ccccc2c1)[n+]1ccc2ccccc2c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: