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TargetAcetylcholinesterase
LigandBDBM50467885
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1797236 (CHEMBL4269353)
IC50 14000±n/a nM
Citation Knutsson, SEngdahl, CKumari, RForsgren, NLindgren, CKindahl, TKitur, SWachira, LKamau, LEkström, FLinusson, A Noncovalent Inhibitors of Mosquito Acetylcholinesterase 1 with Resistance-Breaking Potency. J Med Chem61:10545-10557 (2018) [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:
BDBM50467885
n/a
NameBDBM50467885
Synonyms:CHEMBL4290992
TypeSmall organic molecule
Emp. Form.C23H30N2O3
Mol. Mass.382.4959
SMILESCOc1ccc(cc1)-c1ccc(OCC(=O)NCCCN2CCCCC2)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: