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Target
Acetylcholinesterase
Ligand
BDBM50368269
Substrate
n/a
Meas. Tech.
ChEBML_27815
IC50
6900±n/a nM
Citation
 Cannon, JG; Sahin, MF; Bhatnagar, RK; Flynn, JR; Long, JP Structure-activity studies on a potent antagonist to organophosphate-induced toxicity. J Med Chem 34:1582-4 (1991) [PubMed]
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor
Type:
Enzyme
Mol. Mass.:
67659.62
Organism:
Bos taurus (bovine)
Description:
n/a
Residue:
613
Sequence:
MRPPWCPLHTPSLTPPLLLLLFLIGGGAEAEGPEDPELLVMVRGGRLRGLRLMAPRGPVSAFLGIPFAEPPVGPRRFLPPEPKRPWPGVLNATAFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPSSPTPVLVWIYGGGFYSGASSLDVYDGRFLTQAEGTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGVGEARRRATLLARLVGCPPGGAGGNDTELVACLRARPAQDLVDHEWRVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAQFLAGVRVGVPQASDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYIFEHRASTLSWPLWMGVPHGYEIEFIFGLPLEPSLNYTIEERTFAQRLMRYWANFARTGDPNDPRDPKAPQWPPYTAGAQQYVSLNLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50368269
Synonyms:
CHEMBL1202156
Type:
Small organic molecule
Emp. Form.:
C32H46N2O4
Mol. Mass.:
522.7175
SMILES:
C[N+](C)(CC1CCCCO1)CC(=O)c1ccc(cc1)-c1ccc(cc1)C(=O)C[N+](C)(C)CC1CCCCO1
Structure:
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