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Literature summary for 3.1.1.1 extracted from

  • Wadkins, R.M.; Hyatt, J.L.; Edwards, C.C.; Tsurkan, L.; Redinbo, M.R.; Wheelock, C.E.; Jones, P.D.; Hammock, B.D.; Potter, P.M.
    Analysis of mammalian carboxylesterase inhibition by trifluoromethylketone-containing compounds (2007), Mol. Pharmacol., 71, 713-723.
    View publication on PubMed
Search for more literature for 3.1.1.1

Inhibitors

Inhibitors Comment Organism Structure
1,1,1,-trifluoro-3-(hexylsulfinyl)propane-2,2-diol comparison with inhibition of human isoform hCE1 and rabbit enzyme; comparison with inhibition of human isoform hiCE and rabbit enzyme Homo sapiens
1,1,1,-trifluoro-3-(hexylsulfinyl)propane-2,2-diol comparison with inhibition of human isoforms hiCE and hCE1 Oryctolagus cuniculus
1,1,1,-trifluoro-3-(hexylsulfonyl)propane-2,2-diol comparison with inhibition of human isoform hCE1 and rabbit enzyme; comparison with inhibition of human isoform hiCE and rabbit enzyme Homo sapiens
1,1,1,-trifluoro-3-(hexylsulfonyl)propane-2,2-diol comparison with inhibition of human isoforms hiCE and hCE1 Oryctolagus cuniculus
1,1,1-trifluoro-3-(hexyloxy)propane-2,2-diol1,1,1-trifluoro-3-(hexylsulfonyl)propane-2,2-diol comparison with inhibition of human isoform hCE1 and rabbit enzyme; comparison with inhibition of human isoform hiCE and rabbit enzyme Homo sapiens
1,1,1-trifluoro-3-(hexyloxy)propane-2,2-diol1,1,1-trifluoro-3-(hexylsulfonyl)propane-2,2-diol comparison with inhibition of human isoforms hiCE and hCE1 Oryctolagus cuniculus
1,1,1-trifluoro-3-(octylsulfinyl)propane-2,2-diol comparison with inhibition of human isoform hCE1 and rabbit enzyme; comparison with inhibition of human isoform hiCE and rabbit enzyme Homo sapiens
1,1,1-trifluoro-3-(octylsulfinyl)propane-2,2-diol comparison with inhibition of human isoforms hiCE and hCE1 Oryctolagus cuniculus
3-butylsulfinyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoform hCE1 and rabbit enzyme; comparison with inhibition of human isoform hiCE and rabbit enzyme Homo sapiens
3-butylsulfinyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoforms hiCE and hCE1 Oryctolagus cuniculus
3-decylsulfinyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoform hCE1 and rabbit enzyme; comparison with inhibition of human isoform hiCE and rabbit enzyme Homo sapiens
3-decylsulfinyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoforms hiCE and hCE1 Oryctolagus cuniculus
3-decylsulfonyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoform hCE1 and rabbit enzyme; comparison with inhibition of human isoform hiCE and rabbit enzyme Homo sapiens
3-decylsulfonyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoforms hiCE and hCE1 Oryctolagus cuniculus
3-dodecylsulfinyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoform hCE1 and rabbit enzyme; comparison with inhibition of human isoform hiCE and rabbit enzyme Homo sapiens
3-dodecylsulfinyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoforms hiCE and hCE1 Oryctolagus cuniculus
3-dodecylsulfonyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoform hCE1 and rabbit enzyme; comparison with inhibition of human isoform hiCE and rabbit enzyme Homo sapiens
3-dodecylsulfonyl-1,1,1-trifluoropropane-2,2-diol comparison with inhibition of human isoforms hiCE and hCE1 Oryctolagus cuniculus

Organism

Organism UniProt Comment Textmining
Homo sapiens O00748 isoform hCE1
-
Homo sapiens P23141 isoform hiCE
-
Oryctolagus cuniculus P12337 isoform rCE
-

Source Tissue

Source Tissue Comment Organism Textmining
liver
-
 Homo sapiens
-
liver
-
 Oryctolagus cuniculus
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2-nitrophenyl acetate + H2O
-
 Homo sapiens 2-nitrophenol + acetate
-
 ?
2-nitrophenyl acetate + H2O
-
 Oryctolagus cuniculus 2-nitrophenol + acetate
-
 ?

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.0000003
-
 3-decylsulfonyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Homo sapiens
0.0000004
-
 3-dodecylsulfinyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Homo sapiens
0.0000004
-
 3-dodecylsulfonyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Homo sapiens
0.0000005
-
 1,1,1-trifluoro-3-(octylsulfinyl)propane-2,2-diol pH 7.4 Homo sapiens
0.0000005
-
 3-decylsulfinyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Homo sapiens
0.0000005
-
 1,1,1,-trifluoro-3-(hexylsulfinyl)propane-2,2-diol pH 7.4 Homo sapiens
0.0000006
-
 1,1,1-trifluoro-3-(octylsulfinyl)propane-2,2-diol pH 7.4 Homo sapiens
0.0000007
-
 3-dodecylsulfonyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Oryctolagus cuniculus
0.0000007
-
 1,1,1,-trifluoro-3-(hexylsulfonyl)propane-2,2-diol pH 7.4 Homo sapiens
0.000001
-
 3-dodecylsulfonyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Homo sapiens
0.000001
-
 1,1,1-trifluoro-3-(hexyloxy)propane-2,2-diol1,1,1-trifluoro-3-(hexylsulfonyl)propane-2,2-diol pH 7.4 Homo sapiens
0.0000011
-
 3-decylsulfonyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Homo sapiens
0.0000011
-
 1,1,1-trifluoro-3-(hexyloxy)propane-2,2-diol1,1,1-trifluoro-3-(hexylsulfonyl)propane-2,2-diol pH 7.4 Homo sapiens
0.0000014
-
 3-dodecylsulfinyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Oryctolagus cuniculus
0.0000016
-
 3-decylsulfonyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Oryctolagus cuniculus
0.0000017
-
 1,1,1-trifluoro-3-(hexyloxy)propane-2,2-diol1,1,1-trifluoro-3-(hexylsulfonyl)propane-2,2-diol pH 7.4 Oryctolagus cuniculus
0.000002
-
 3-butylsulfinyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Homo sapiens
0.000003
-
 3-decylsulfinyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Oryctolagus cuniculus
0.0000033
-
 1,1,1,-trifluoro-3-(hexylsulfinyl)propane-2,2-diol pH 7.4 Homo sapiens
0.0000037
-
 1,1,1,-trifluoro-3-(hexylsulfonyl)propane-2,2-diol pH 7.4 Homo sapiens
0.0000064
-
 1,1,1-trifluoro-3-(octylsulfinyl)propane-2,2-diol pH 7.4 Oryctolagus cuniculus
0.0000143
-
 3-butylsulfinyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Homo sapiens
0.0000217
-
 1,1,1,-trifluoro-3-(hexylsulfinyl)propane-2,2-diol pH 7.4 Oryctolagus cuniculus
0.0000343
-
 1,1,1,-trifluoro-3-(hexylsulfonyl)propane-2,2-diol pH 7.4 Oryctolagus cuniculus
0.0001373
-
 3-butylsulfinyl-1,1,1-trifluoropropane-2,2-diol pH 7.4 Oryctolagus cuniculus