Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetAcetylcholinesterase
LigandBDBM50009715
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1337217 (CHEMBL3240625)
Ki 198500±n/a nM
Citation McHardy, SFBohmann, JACorbett, MRCampos, BTidwell, MWThompson, PMBemben, CJMenchaca, TAReeves, TECantrell, WRBauta, WELopez, AMaxwell, DMBrecht, KMSweeney, REMcDonough, J Design, synthesis, and characterization of novel, nonquaternary reactivators of GF-inhibited human acetylcholinesterase. Bioorg Med Chem Lett24:1711-4 (2014) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
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:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50009715
n/a
NameBDBM50009715
Synonyms:CHEMBL3235235
TypeSmall organic molecule
Emp. Form.C18H22N4O2
Mol. Mass.326.3929
SMILESO\N=C\c1cnc(OCC2CCN(Cc3ccccc3)CC2)nc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: