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Target
Acetylcholinesterase
Ligand
BDBM50009668
Substrate
n/a
Meas. Tech.
ChEMBL_1337217 (CHEMBL3240625)
Ki
1608000±n/a nM
Citation
 McHardy, SF; Bohmann, JA; Corbett, MR; Campos, B; Tidwell, MW; Thompson, PM; Bemben, CJ; Menchaca, TA; Reeves, TE; Cantrell, WR; Bauta, WE; Lopez, A; Maxwell, DM; Brecht, KM; Sweeney, RE; McDonough, J Design, synthesis, and characterization of novel, nonquaternary reactivators of GF-inhibited human acetylcholinesterase. Bioorg Med Chem Lett 24:1711-4 (2014) [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:
BDBM50009668
Synonyms:
CHEMBL3235225
Type:
Small organic molecule
Emp. Form.:
C21H22N4O3
Mol. Mass.:
378.4244
SMILES:
O\N=C\C(=O)c1ccc(OCC2CCN(Cc3ccc(cc3)C#N)CC2)nc1
Structure:
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