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Target
Acetylcholinesterase
Ligand
BDBM50570553
Substrate
n/a
Meas. Tech.
ChEMBL_2112551 (CHEMBL4821401)
IC50
759±n/a nM
Citation
 Makhaeva, GF; Lushchekina, SV; Boltneva, NP; Serebryakova, OG; Kovaleva, NV; Rudakova, EV; Elkina, NA; Shchegolkov, EV; Burgart, YV; Stupina, TS; Terentiev, AA; Radchenko, EV; Palyulin, VA; Saloutin, VI; Bachurin, SO; Richardson, RJ Novel potent bifunctional carboxylesterase inhibitors based on a polyfluoroalkyl-2-imino-1,3-dione scaffold. Eur J Med Chem 218:0 (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:
BDBM50570553
Synonyms:
CHEMBL4854298
Type:
Small organic molecule
Emp. Form.:
C12H10F3N3O5
Mol. Mass.:
333.2201
SMILES:
CCOC(=O)C(=N/Nc1ccccc1[N+]([O-])=O)\C(=O)C(F)(F)F
Structure:
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