Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50035853
Substrate
n/a
Meas. Tech.
ChEMBL_1442755 (CHEMBL3375277)
Kd
24000±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:
BDBM50035853
Synonyms:
CHEMBL3360486
Type:
Small organic molecule
Emp. Form.:
C26H32N4O3
Mol. Mass.:
448.5573
SMILES:
COc1cc2CCN(CCCCCn3ccnc3\C=N\O)C(c3ccccc3)c2cc1OC
Structure:
Search PDB for entries with ligand similarity: