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Target
Acetylcholinesterase
Ligand
BDBM50079863
Substrate
n/a
Meas. Tech.
ChEMBL_1842258 (CHEMBL4342685)
IC50
39±n/a nM
Citation
 Mishra, P; Kumar, A; Panda, G Anti-cholinesterase hybrids as multi-target-directed ligands against Alzheimer's disease (1998-2018). Bioorg Med Chem 27:895-930 (2019) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67659.62
Organism:
Bovine
Description:
n/a
Residue:
613
Sequence:
MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVSAFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELVACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYEIEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQYVSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50079863
Synonyms:
(+)-15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine | (-)-15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine | (rac)15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine | 15-ethyl-(1R,13S)-10-azoniatetracyclo[11.3.1.02,11.04,9]heptadeca-2,4,6,8,10,14-hexaen-3-amine | 15-ethyl-10-azatetracyclo[11.3.1.02,11.04,9]heptadeca-2(11),3,5,7,9,14-hexaen-3-amine | CHEMBL325338 | rac-huprine H4
Type:
Small organic molecule
Emp. Form.:
C18H20N2
Mol. Mass.:
264.3648
SMILES:
CCC1=CC2CC(C1)c1c(C2)nc2ccccc2c1N |t:2,TLB:18:8:2.3.7:5,THB:1:2:8.9.10:5|
Structure:
Search PDB for entries with ligand similarity: