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Target
Acetylcholinesterase
Ligand
BDBM50555835
Substrate
n/a
Meas. Tech.
ChEMBL_2053698 (CHEMBL4708699)
Ki
0.456000±n/a nM
Citation
 Sobolova, K; Hrabinova, M; Hepnarova, V; Kucera, T; Kobrlova, T; Benkova, M; Janockova, J; Dolezal, R; Prchal, L; Benek, O; Mezeiova, E; Jun, D; Soukup, O; Korabecny, J Discovery of novel berberine derivatives with balanced cholinesterase and prolyl oligopeptidase inhibition profile. Eur J Med Chem 203:0 (2020) [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:
BDBM50555835
Synonyms:
CHEMBL4752175
Type:
Small organic molecule
Emp. Form.:
C27H21BrF3NO4
Mol. Mass.:
560.359
SMILES:
[Br-].COc1ccc2cc3-c4cc5OCOc5cc4CC[n+]3cc2c1OCc1ccc(cc1)C(F)(F)F
Structure:
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