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Target
Acetylcholinesterase
Ligand
BDBM50342871
Substrate
n/a
Meas. Tech.
ChEMBL_745138 (CHEMBL1772317)
IC50
81±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:
BDBM50342871
Synonyms:
1,1'-(4,4'-(propane-1,3-diyl)bis(4,1-phenylene))bis(methylene)bis(4-(pyrrolidin-1-yl)pyridinium)bromide | CHEMBL1771542
Type:
Small organic molecule
Emp. Form.:
C35H42N4
Mol. Mass.:
518.7337
SMILES:
C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(35.23,-49.84,;33.9,-49.07,;32.57,-49.85,;32.57,-51.4,;31.24,-52.17,;29.9,-51.4,;28.57,-52.17,;27.23,-51.4,;27.24,-49.86,;25.91,-49.09,;24.58,-49.86,;24.58,-51.4,;25.91,-52.17,;23.24,-49.09,;23.08,-47.56,;21.57,-47.24,;20.8,-48.57,;21.83,-49.72,;29.9,-49.86,;31.23,-49.08,;36.57,-49.06,;37.9,-49.83,;37.9,-51.37,;39.24,-52.13,;40.57,-51.36,;41.91,-52.12,;43.24,-51.34,;44.57,-52.11,;45.9,-51.34,;45.89,-49.79,;44.55,-49.03,;43.22,-49.81,;47.22,-49.01,;48.63,-49.62,;49.66,-48.47,;48.88,-47.14,;47.37,-47.47,;40.56,-49.81,;39.22,-49.05,)|
Structure:
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