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TargetAcetylcholinesterase
LigandBDBM50028685
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1439857 (CHEMBL3387411)
IC50 0.720000±n/a nM
Citation Nepovimova, EUliassi, EKorabecny, JPeña-Altamira, LESamez, SPesaresi, AGarcia, GEBartolini, MAndrisano, VBergamini, CFato, RLamba, DRoberti, MKuca, KMonti, BBolognesi, ML Multitarget drug design strategy: quinone-tacrine hybrids designed to block amyloid-ß aggregation and to exert anticholinesterase and antioxidant effects. J Med Chem57:8576-89 (2014) [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:
BDBM50028685
n/a
NameBDBM50028685
Synonyms:CHEMBL3356536
TypeSmall organic molecule
Emp. Form.C25H22ClN3O3
Mol. Mass.447.913
SMILESOc1cccc2C(=O)C(NCCNc3c4CCCCc4nc4cc(Cl)ccc34)=CC(=O)c12 |c:30|
Structure
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