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TargetAcetylcholinesterase
LigandBDBM50240416
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1671094 (CHEMBL4021123)
IC50 10.0±n/a nM
Citation Mohammed, A; Sneathen, J; Frojen, SG; Kuo, L; Dupureur, CM Stereospecific cholinesterase inhibition by O,S-diethylphenylphosphonothioate. Bioorg Med Chem25:3053-3058 (2017) [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
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  Blast E-value cutoff:
BDBM50240416
n/a
NameBDBM50240416
Synonyms:CHEMBL23838 | O,O-diethyl O-p-nitrophenyl phosphate | diethyl 4-nitrophenyl phosphate | diethyl p-nitrophenyl phosphate | diethyl paraoxon | ethyl paraoxon | p-nitrophenyl diethyl phosphate | paraoxon | phosphacol | phosphoric acid diethyl 4-nitrophenyl ester
TypeSmall organic molecule
Emp. Form.C10H14NO6P
Mol. Mass.275.195
SMILESCCOP(=O)(OCC)Oc1ccc(cc1)[N+]([O-])=O
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: