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Inhibitor Report for: A-232-Nerve-agent

Name Class
A-232-Nerve-agentTypeOrganophosphate
Chemical Warfare Agent
Novichok
Other_Name (7)
Chemical_NomenclatureN,N-diethyl-N'-[fluoro(methoxy)phosphoryl]ethanimidamide
FormulaC7H16FN2O2P
MW210.18
Paper (11)
Structure6NTH
6NTK
6NTM
CommentPhosphoramidate
Novichok (newcomer/ newbie/ novice, beginner/) is a series of binary chemical weapons developed by the Soviet Union and Russia between 1971 and 1993. Mirzayanov provided the first description of these agents but are somewhat different from the structures identified later. The ligand on the enzyme is L0S: methyl (R)-N-[(1E)-1-(diethylamino)ethylidene]-P-methylphosphonamidate, C8H19N2O2P,YYUQHVXOVGFZEM-MMQHEFTJSA-N
Gene_locushuman-ACHE
CID132472360
FamilyACHE
InChIKeyBBTXAVJVSQSXHZ-VQHVLOKHSA-N
CanonicalSMILESCCN(CC)C(=NP(=O)(OC)F)C
InChIInChI=1S/C7H16FN2O2P/c1-5-10(6-2)7(3)9-13(8,11)12-4/h5-6H2,1-4H3/b9-7+
WikipediaNovichok_agent

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Mail to: Nicolas Lenfant, Thierry Hotelier, Yves Bourne, Pascale Marchot and Arnaud Chatonnet.
Please cite: Lenfant 2013 Nucleic.Acids.Res. or Marchot Chatonnet 2012 Prot.Pept Lett.
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