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TargetAcetylcholinesterase
LigandBDBM50221916
Substrate/Competitorn/a
Meas. Tech.ChEMBL_446304 (CHEMBL895407)
IC50 133±n/a nM
Citation Bolognesi, MLBanzi, RBartolini, MCavalli, ATarozzi, AAndrisano, VMinarini, ARosini, MTumiatti, VBergamini, CFato, RLenaz, GHrelia, PCattaneo, ARecanatini, MMelchiorre, C Novel class of quinone-bearing polyamines as multi-target-directed ligands to combat Alzheimer's disease. J Med Chem50:4882-97 (2007) [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:
BDBM50221916
n/a
NameBDBM50221916
Synonyms:2,5-bis{6-[ethyl(pyridin-3-ylmethyl)amino]hexylamino}-[1,4]-benzoquinone | CHEMBL241974
TypeSmall organic molecule
Emp. Form.C34H50N6O2
Mol. Mass.574.7998
SMILESCCN(CCCCCCNc1cc(O)c(cc1O)N=CCCCCCN(CC)Cc1cccnc1)Cc1cccnc1 |w:18.18|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: