Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50399977
Substrate
n/a
Meas. Tech.
ChEMBL_1442755 (CHEMBL3375277)
Kd
22000±n/a nM
Citation
 Wei, Z; Liu, YQ; Zhou, XB; Luo, Y; Huang, CQ; Wang, YA; Zheng, ZB; Li, S New efficient imidazolium aldoxime reactivators for nerve agent-inhibited acetylcholinesterase. Bioorg Med Chem Lett 24:5743-8 (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:
BDBM50399977
Synonyms:
CHEMBL2181432
Type:
Small organic molecule
Emp. Form.:
C28H33N3O4
Mol. Mass.:
475.5793
SMILES:
COc1cc2CCN(CCCCCc3ccc(O)c(CN=O)n3)C(c3ccccc3)c2cc1OC
Structure:
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