Reaction Details  Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50313093
Substrate
n/a
Meas. Tech.
ChEMBL_616425 (CHEMBL1100711)
Ki
140±n/a nM
Citation
 Musilek, K; Komloova, M; Zavadova, V; Holas, O; Hrabinova, M; Pohanka, M; Dohnal, V; Nachon, F; Dolezal, M; Kuca, K; Jung, YS Preparation and in vitro screening of symmetrical bispyridinium cholinesterase inhibitors bearing different connecting linkage-initial study for Myasthenia gravis implications. Bioorg Med Chem Lett 20:1763-6 (2010) [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:
BDBM50313093
Synonyms:
1,1'-bis(pyridinium)-naphtyl-3,6-dimethylene dibromide | CHEMBL1081810
Type:
Small organic molecule
Emp. Form.:
C22H20N2
Mol. Mass.:
312.4065
SMILES:
C(c1ccc2ccc(C[n+]3ccccc3)cc2c1)[n+]1ccccc1
Structure:
Search PDB for entries with ligand similarity: