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TargetCholinesterases
LigandBDBM50060582
Substrate/Competitorn/a
Meas. Tech.ChEMBL_471590
IC50 5900±n/a nM
Citation Bembenek SDKeith JMLetavic MAApodaca RBarbier AJDvorak LAluisio LMiller KLLovenberg TWCarruthers NI Lead identification of acetylcholinesterase inhibitors-histamine H3 receptor antagonists from molecular modeling. Bioorg Med Chem 16:2968-73 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterases
Name:Cholinesterases
Synonyms: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:
BDBM50060582
n/a
NameBDBM50060582
Synonyms:1,10-Bis(trimethyl ammonium)decane dibromide | 1,10-bis-(trimethyl ammonium) decane dibromide | CHEMBL1134 | DECAMETHONIUM | DECAMETHONIUM BROMIDE | Decamethonium Iodide | N,N,N'',N''-Tetramethyl-decane-1,10-diammonium; dibromide | N,N,N,N'',N'',N''-Hexamethyldecane-1,10-diammoniumdibromide | Syncurine | decane-1,10-bis(trimethylammonium bromide)
TypeSmall organic molecule
Emp. Form.C16H38N2
Mol. Mass.258.4852
SMILESC[N+](C)(C)CCCCCCCCCC[N+](C)(C)C
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: