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Target
Acetylcholinesterase
Ligand
BDBM50342868
Substrate
n/a
Meas. Tech.
ChEMBL_745138 (CHEMBL1772317)
IC50
183±n/a nM
Citation
 Conejo-García, A; Pisani, L; Núñez, Mdel C; Catto, M; Nicolotti, O; Leonetti, F; Campos, JM; Gallo, MA; Espinosa, A; Carotti, A Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity. J Med Chem 54:2627-45 (2011) [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:
BDBM50342868
Synonyms:
1,1'-(4,4'-methylenebis(4,1-phenylene)bis(methylene))bis(4-(pyrrolidin-1-yl)pyridinium)bromide | CHEMBL1771539
Type:
Small organic molecule
Emp. Form.:
C33H38N4
Mol. Mass.:
490.6805
SMILES:
C(c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(1.95,-26.7,;.62,-27.48,;.62,-29.03,;-.72,-29.8,;-2.05,-29.03,;-3.38,-29.8,;-4.72,-29.03,;-4.71,-27.49,;-6.04,-26.72,;-7.38,-27.49,;-7.37,-29.04,;-6.04,-29.8,;-8.71,-26.72,;-8.87,-25.18,;-10.38,-24.86,;-11.15,-26.19,;-10.12,-27.34,;-2.05,-27.49,;-.72,-26.72,;3.28,-27.47,;3.28,-29.01,;4.62,-29.77,;5.95,-29,;7.29,-29.76,;8.62,-28.98,;9.95,-29.75,;11.28,-28.97,;11.28,-27.43,;9.93,-26.67,;8.6,-27.45,;12.6,-26.65,;14.01,-27.26,;15.04,-26.11,;14.26,-24.78,;12.75,-25.11,;5.94,-27.45,;4.6,-26.69,)|
Structure:
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