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Target
Acetylcholinesterase
Ligand
BDBM50449745
Substrate
n/a
Meas. Tech.
ChEMBL_1740535 (CHEMBL4156285)
Ki
3880±n/a nM
Citation
 Chioua, M; Buzzi, E; Moraleda, I; Iriepa, I; Maj, M; Wnorowski, A; Giovannini, C; Tramarin, A; Portali, F; Ismaili, L; López-Alvarado, P; Bolognesi, ML; Jó?wiak, K; Menéndez, JC; Marco-Contelles, J; Bartolini, M Tacripyrimidines, the first tacrine-dihydropyrimidine hybrids, as multi-target-directed ligands for Alzheimer's disease. Eur J Med Chem 155:839-846 (2018) [PubMed]  Article
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50449745
Synonyms:
CHEMBL4171520
Type:
Small organic molecule
Emp. Form.:
C18H20N4OS
Mol. Mass.:
340.443
SMILES:
COc1cccc(c1)C1NC(=S)Nc2nc3CCCCc3c(N)c12
Structure:
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