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Target
Acetylcholinesterase
Ligand
BDBM50206896
Substrate
n/a
Meas. Tech.
ChEMBL_1629468 (CHEMBL3872094)
IC50
1480±n/a nM
Citation
 Basiri, A; Xiao, M; McCarthy, A; Dutta, D; Byrareddy, SN; Conda-Sheridan, M Design and synthesis of new piperidone grafted acetylcholinesterase inhibitors. Bioorg Med Chem Lett 27:228-231 (2017) [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:
BDBM50206896
Synonyms:
CHEMBL3958208
Type:
Small organic molecule
Emp. Form.:
C28H21Br2N3S
Mol. Mass.:
591.359
SMILES:
Brc1ccc(\C=C2\CNCC3=C2N=C2SC=C(N2C3c2ccc(Br)cc2)c2ccccc2)cc1 |c:10,16,t:13|
Structure:
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