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Target
Acetylcholinesterase
Ligand
BDBM8974
Substrate
n/a
Meas. Tech.
ChEMBL_552460 (CHEMBL1002720)
Ki
9.10±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:
BDBM8974
Synonyms:
CHEMBL367067 | N-Methyl-N-(1,2,3,4-tetrahydroacridin-9-yl)-N-[3-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)propyl]-1,3-propanediamine | Tacrine Dimer 4j | methyl[3-(1,2,3,4-tetrahydroacridin-9-ylamino)propyl][3-(1,2,3,4-tetrahydroacridin-9-ylsulfanyl)propyl]amine
Type:
Small organic molecule
Emp. Form.:
C33H40N4S
Mol. Mass.:
524.763
SMILES:
CN(CCCNc1c2CCCCc2nc2ccccc12)CCCSc1c2CCCCc2nc2ccccc12
Structure:
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