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TargetAcetylcholinesterase
LigandBDBM50346416
Substrate/Competitorn/a
Meas. Tech.ChEMBL_751133 (CHEMBL1787070)
IC50 840±n/a nM
Citation Tasso, BCatto, MNicolotti, ONovelli, FTonelli, MGiangreco, IPisani, LSparatore, ABoido, VCarotti, ASparatore, F Quinolizidinyl derivatives of bi- and tricyclic systems as potent inhibitors of acetyl- and butyrylcholinesterase with potential in Alzheimer's disease. Eur J Med Chem46:2170-84 (2011) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
Name:Acetylcholinesterase
Synonyms:ACES_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:Enzyme
Mol. Mass.:67659.62
Organism:Bos taurus (bovine)
Description:n/a
Residue:613
Sequence:
MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVS
AFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNR
ELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMN
YRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVG
MHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELV
ACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGV
VKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPED
PARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYE
IEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQY
VSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQ
FDHYSKQDRCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50346416
n/a
NameBDBM50346416
Synonyms:6-chloro-2-methoxy-N-(2-(((1R,9aR)-octahydro-1H-quinolizin-1-yl)methylthio)ethyl)acridin-9-amine | CHEMBL1782742
TypeSmall organic molecule
Emp. Form.C26H32ClN3OS
Mol. Mass.470.07
SMILESCOc1ccc2nc3cc(Cl)ccc3c(NCCSC[C@@H]3CCCN4CCCC[C@H]34)c2c1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: