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Target
Acetylcholinesterase
Ligand
BDBM10624
Substrate
n/a
Meas. Tech.
ChEMBL_552468 (CHEMBL999085)
Ki
57±n/a nM
Citation
 Butini, S; Campiani, G; Borriello, M; Gemma, S; Panico, A; Persico, M; Catalanotti, B; Ros, S; Brindisi, M; Agnusdei, M; Fiorini, I; Nacci, V; Novellino, E; Belinskaya, T; Saxena, A; Fattorusso, C Exploiting protein fluctuations at the active-site gorge of human cholinesterases: further optimization of the design strategy to develop extremely potent inhibitors. J Med Chem 51:3154-70 (2008) [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:
BDBM10624
Synonyms:
1,5-bis(4-allyldimethylammoniumphenyl)-pentan-3-one dibromide | 4-(5-{4-[dimethyl(prop-2-en-1-yl)aminiumyl]phenyl}-3-oxopentyl)-N,N-dimethyl-N-(prop-2-en-1-yl)anilinium dibromide | BW284c51 | CHEMBL140020 | CHEMBL464538
Type:
Small organic molecule
Emp. Form.:
C27H38N2O
Mol. Mass.:
406.6023
SMILES:
C[N+](C)(CC=C)c1ccc(CCC(=O)CCc2ccc(cc2)[N+](C)(C)CC=C)cc1
Structure:
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