Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50313079
Substrate
n/a
Meas. Tech.
ChEBML_27815
IC50
50±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]  Article 
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:
BDBM50313079
Synonyms:
3-Dimethylcarbamoyloxy-1-methyl-pyridinium; bromide | CHEMBL812 | Mestinon | PYRIDOSTIGMINE BROMIDE | Pyridostigmine | Pyridostigmine (1) | Regonol
Type:
Small organic molecule
Emp. Form.:
C9H13N2O2
Mol. Mass.:
181.2112
SMILES:
CN(C)C(=O)Oc1ccc[n+](C)c1
Structure:
Search PDB for entries with ligand similarity: