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Target
Acetylcholinesterase
Ligand
BDBM9066
Substrate
BDBM8959
Meas. Tech.
Cholinesterase Inhibition Assay
pH
8±n/a
Temperature
303.15±n/a K
IC50
20±n/a nM
Citation
 Alonso, D; Dorronsoro, I; Rubio, L; Munoz, P; Garcia-Palomero, E; Del Monte, M; Bidon-Chanal, A; Orozco, M; Luque, FJ; Castro, A; Medina, M; Martinez, A Donepezil-tacrine hybrid related derivatives as new dual binding site inhibitors of AChE. Bioorg Med Chem 13:6588-97 (2005) [PubMed]  Article 
Target
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:
MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVSAFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELVACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYEIEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQYVSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM9066
Synonyms:
Donepezil-tacrine hybrid 11 | N-[7-(6-Chloro-1,2,3,4-tetrahydro-acridin-9-ylamino)-heptyl]-2-(1,3-dioxo-1,3-dihydroisoindol-2-yl)acetamide | N-{7-[(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]heptyl}-2-(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)acetamide
Type:
Small organic molecule
Emp. Form.:
C30H33ClN4O3
Mol. Mass.:
533.061
SMILES:
Clc1ccc2c(NCCCCCCCNC(=O)CN3C(=O)c4ccccc4C3=O)c3CCCCc3nc2c1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM8959
Synonyms:
(2-Mercaptoethyl)trimethylammonium iodide acetate | ATC | Acetylthiocholine | [2-(acetylsulfanyl)ethyl]trimethylazanium iodide | acetylthiocholine chloride | acetylthiocholine iodide
Type:
Small organic molecule
Emp. Form.:
C7H16NOS
Mol. Mass.:
162.272
SMILES:
CC(=O)SCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: