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Inhibitor Report for: SXC

Name Class
SXCTypeOrganophosphate
Pincer-Metal-cofactor
pNP
Sulfur Compound
Other_NameNCN-Pd-Pincer
SXC
Chemical_Nomenclaturebromopalladium(1+);[3-[3-[ethoxy(hydroxy)phosphoryl]propyl]-5-(methylsulfoniomethyl)benzene-6-id-1-yl]methyl-methylsulfanium
FormulaC15H26BrO3PPdS2+2
MW535.78
PaperKruithof_2005_Chemistry_11_6869
Rutten_2009_Chemistry_15_4270
Structure3ESC
3ESD
CommentThe incorporation of a synthetic, catalytically competent metallo cofactor into a protein scaffold to generate an artificial metalloenzyme (ArM) lead to new activities specific of the cofactor
Gene_locusfusso-cutas
CID44129616
FamilyCutinase
InChIKeySIFSBFIBXYYZCT-UHFFFAOYSA-O
CanonicalSMILESCCOP(=O)(CCCC1=CC(=[C-]C(=C1)C[SH+]C)C[SH+]C)O.Br[Pd+]
InChIInChI=1S/C15H24O3PS2.BrH.Pd/c1-4-18-19(16,17)7-5-6-13-8-14(11-20-2)10-15(9-13)12-21-3;;/h8-9H,4-7,11-12H2,1-3H3,(H,16,17);1H;/q-1;;+2/p+1

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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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