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Target
Acetylcholinesterase
Ligand
BDBM50571191
Substrate
n/a
Meas. Tech.
ChEMBL_2114062 (CHEMBL4822912)
IC50
2630±n/a nM
Citation
 Mezeiova, E; Hrabinova, M; Hepnarova, V; Jun, D; Janockova, J; Muckova, L; Prchal, L; Kristofikova, Z; Kucera, T; Gorecki, L; Chalupova, K; Kunes, J; Hroudova, J; Soukup, O; Korabecny, J Huprine Y - Tryptophan heterodimers with potential implication to Alzheimer's disease treatment. Bioorg Med Chem Lett 43:0 (2021) [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:
BDBM50571191
Synonyms:
CHEMBL4850590
Type:
Small organic molecule
Emp. Form.:
C18H21ClN2O
Mol. Mass.:
316.825
SMILES:
Cl.COc1ccc2nc3CC4CC(CC(C)=C4)c3c(N)c2c1 |c:14,TLB:18:17:16.14.13:11,THB:15:14:17.9.8:11|
Structure:
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