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TargetCholinesterases
LigandBDBM50067482
Substrate/Competitorn/a
Meas. Tech.ChEMBL_462117
IC50 170±n/a nM
Citation Cavalli ABolognesi MLMinarini ARosini MTumiatti VRecanatini MMelchiorre C Multi-target-directed ligands to combat neurodegenerative diseases. J Med Chem 51:347-72 (2008) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Cholinesterases
Name:Cholinesterases; ACHE & BCHE
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:
BDBM50067482
n/a
NameBDBM50067482
Synonyms:6-[(2-Methoxy-benzyl)-methyl-amino]-hexanoic acid [8-({6-[(2-methoxy-benzyl)-methyl-amino]-hexanoyl}-methyl-amino)-octyl]-methyl-amide | CAPROCTAMINE | CHEMBL11805 | CHEMBL222856 | CHEMBL557586 | N,N''-(octane-1,8-diyl)bis(6-((2-methoxybenzyl)(methyl)amino)-N-methylhexanamide)
TypeSmall organic molecule
Emp. Form.C40H66N4O4
Mol. Mass.666.9764
SMILESCOc1ccccc1CN(C)CCCCCC(=O)N(C)CCCCCCCCN(C)C(=O)CCCCCN(C)Cc1ccccc1OC
Structure
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