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Literature summary extracted from

  • Harada, T.; Nakagawa, Y.; Wadkins, R.M.; Potter, P.M.; Wheelock, C.E.
    Comparison of benzil and trifluoromethyl ketone (TFK)-mediated carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis (2009), Bioorg. Med. Chem., 17, 149-164.
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.1.1.1 1,1,1-trifluoro-3-(hexyloxy)propane-2,2-diol
-
 Homo sapiens
3.1.1.1 1,1,1-trifluoro-3-(hexyloxy)propane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 1,1,1-trifluoro-3-(hexylsulfanyl)propan-2-one
-
 Homo sapiens
3.1.1.1 1,1,1-trifluoro-3-(hexylsulfanyl)propan-2-one
-
 Oryctolagus cuniculus
3.1.1.1 1,1,1-trifluoro-3-(hexylsulfinyl)propane-2,2-diol
-
 Homo sapiens
3.1.1.1 1,1,1-trifluoro-3-(hexylsulfinyl)propane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 1,1,1-trifluoro-3-(hexylsulfonyl)propane-2,2-diol
-
 Homo sapiens
3.1.1.1 1,1,1-trifluoro-3-(hexylsulfonyl)propane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 1,1,1-trifluoro-3-(octylsulfanyl)propan-2-one
-
 Homo sapiens
3.1.1.1 1,1,1-trifluoro-3-(octylsulfanyl)propan-2-one
-
 Oryctolagus cuniculus
3.1.1.1 1,1,1-trifluoro-3-(octylsulfinyl)propane-2,2-diol
-
 Homo sapiens
3.1.1.1 1,1,1-trifluoro-3-(octylsulfinyl)propane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 1,1,1-trifluoro-3-(octylsulfonyl)propane-2,2-diol
-
 Homo sapiens
3.1.1.1 1,1,1-trifluoro-3-(octylsulfonyl)propane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
-
 Homo sapiens
3.1.1.1 1,1,1-trifluoro-3-[(2-phenylethyl)sulfanyl]propan-2-one
-
 Oryctolagus cuniculus
3.1.1.1 1,1,1-trifluoro-3-[(2-phenylethyl)sulfonyl]propane-2,2-diol
-
 Homo sapiens
3.1.1.1 1,1,1-trifluoro-3-[(2-phenylethyl)sulfonyl]propane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 1,1,1-trifluorododecan-2-one
-
 Homo sapiens
3.1.1.1 1,1,1-trifluorododecan-2-one
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(2-chlorophenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(2-chlorophenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(3,4,5-trifluorophenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(3,5-difluorophenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(3-methoxyphenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(3-methoxyphenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(3-nitrophenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(3-nitrophenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(4-bromo-2-methoxyphenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(4-bromo-2-methoxyphenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(4-bromo-3-nitrophenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(4-bromo-3-nitrophenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(4-bromothiophen-2-yl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(4-bromothiophen-2-yl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(4-chlorophenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(4-chlorophenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(4-fluorophenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(4-fluorophenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(4-methoxyphenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(4-methoxyphenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(4-methylphenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(4-methylphenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-bis(5-bromothiophen-2-yl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-di(furan-2-yl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-di(furan-2-yl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-di(naphthalen-2-yl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-di(naphthalen-2-yl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-di(pyridin-2-yl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-di(pyridin-2-yl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-di(thiophen-2-yl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-di(thiophen-2-yl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-di(thiophen-3-yl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-di(thiophen-3-yl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1,2-diphenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1,2-diphenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(2,4-dinitrophenyl)-2-phenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(2,4-dinitrophenyl)-2-phenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(2-chlorophenyl)-2-(3,4-dimethoxyphenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(3,4-dimethylphenyl)-2-phenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(4-chlorophenyl)-2-(4-methylphenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(4-chlorophenyl)-2-phenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(4-chlorophenyl)-2-phenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(4-methoxyphenyl)-2-phenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(4-methoxyphenyl)-2-phenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(4-methyl-3-nitrophenyl)-2-phenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(4-methyl-3-nitrophenyl)-2-phenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(4-methylphenyl)-2-phenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(4-methylphenyl)-2-phenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(4-nitrophenyl)-2-phenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(4-nitrophenyl)-2-phenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-(pentachlorophenyl)-2-(pentafluorophenyl)ethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-(pentachlorophenyl)-2-(pentafluorophenyl)ethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-[4-(bromomethyl)phenyl]-2-phenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 1-[4-[oxo(phenyl)acetyl]phenyl]-2-phenylethane-1,2-dione
-
 Homo sapiens
3.1.1.1 1-[4-[oxo(phenyl)acetyl]phenyl]-2-phenylethane-1,2-dione
-
 Oryctolagus cuniculus
3.1.1.1 3-(butylsulfanyl)-1,1,1-trifluoropropan-2-one
-
 Homo sapiens
3.1.1.1 3-(butylsulfanyl)-1,1,1-trifluoropropan-2-one
-
 Oryctolagus cuniculus
3.1.1.1 3-(decylsulfanyl)-1,1,1-trifluoropropan-2-one
-
 Homo sapiens
3.1.1.1 3-(decylsulfanyl)-1,1,1-trifluoropropan-2-one
-
 Oryctolagus cuniculus
3.1.1.1 3-(decylsulfinyl)-1,1,1-trifluoropropane-2,2-diol
-
 Homo sapiens
3.1.1.1 3-(decylsulfinyl)-1,1,1-trifluoropropane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 3-(decylsulfonyl)-1,1,1-trifluoropropane-2,2-diol
-
 Homo sapiens
3.1.1.1 3-(decylsulfonyl)-1,1,1-trifluoropropane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 3-(dodecylsulfanyl)-1,1,1-trifluoropropan-2-one
-
 Homo sapiens
3.1.1.1 3-(dodecylsulfanyl)-1,1,1-trifluoropropan-2-one
-
 Oryctolagus cuniculus
3.1.1.1 3-(dodecylsulfinyl)-1,1,1-trifluoropropane-2,2-diol
-
 Homo sapiens
3.1.1.1 3-(dodecylsulfinyl)-1,1,1-trifluoropropane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 3-(dodecylsulfonyl)-1,1,1-trifluoropropane-2,2-diol
-
 Homo sapiens
3.1.1.1 3-(dodecylsulfonyl)-1,1,1-trifluoropropane-2,2-diol
-
 Oryctolagus cuniculus
3.1.1.1 4-[oxo(phenyl)acetyl]benzoic acid
-
 Homo sapiens
3.1.1.1 4-[oxo(phenyl)acetyl]benzoic acid
-
 Oryctolagus cuniculus
3.1.1.1 benzil
-
 Homo sapiens
3.1.1.1 benzil
-
 Oryctolagus cuniculus
3.1.1.1 additional information several different scaffolds capable of inhibiting carboxylesterases are e.g. organophosphates, carbamates, trifluoromethyl ketone-containing structures, and aromatic ethane-1,2-diones. Comparison of diverse benzil analogues and dione-based carboxylesterase and trifluoromethyl ketone inhibitors in carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis, overview Homo sapiens
3.1.1.1 additional information several different scaffolds capable of inhibiting carboxylesterases are e.g. organophosphates, carbamates, trifluoromethyl ketone-containing structures, and aromatic ethane-1,2-diones. Comparison of diverse benzil analogues and dione-based and trifluoromethyl ketone carboxylesterase inhibitors in carboxylesterase inhibition using classical and 3D-quantitative structure-activity relationship analysis, overview Oryctolagus cuniculus

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
3.1.1.1 camptothecin-11 + H2O Homo sapiens i.e. CPT-11, an anti-tumor agent ?
-
 ?
3.1.1.1 camptothecin-11 + H2O Oryctolagus cuniculus i.e. CPT-11, an anti-tumor agent ?
-
 ?
3.1.1.1 clopidogrel + H2O Homo sapiens an anti-thrombogenic agent (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoic acid + methanol
-
 ?
3.1.1.1 clopidogrel + H2O Oryctolagus cuniculus an anti-thrombogenic agent (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoic acid + methanol
-
 ?
3.1.1.1 additional information Homo sapiens carboxylesterases are enzymes that hydrolyze a broad suite of endogenous and exogenous ester-containing compounds to the corresponding alcohol and carboxylic acid ?
-
 ?
3.1.1.1 additional information Oryctolagus cuniculus carboxylesterases are enzymes that hydrolyze a broad suite of endogenous and exogenous ester-containing compounds to the corresponding alcohol and carboxylic acid ?
-
 ?
3.1.1.1 oseltamivir + H2O Homo sapiens an anti-viral drug ?
-
 ?
3.1.1.1 oseltamivir + H2O Oryctolagus cuniculus an anti-viral drug ?
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
3.1.1.1 Homo sapiens
-
-
-
3.1.1.1 Oryctolagus cuniculus
-
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
3.1.1.1 commercial preparation recombinant enzyme Oryctolagus cuniculus
-
3.1.1.1 intestine intestinal CE Homo sapiens
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.1.1.1 camptothecin-11 + H2O i.e. CPT-11, an anti-tumor agent Homo sapiens ?
-
 ?
3.1.1.1 camptothecin-11 + H2O i.e. CPT-11, an anti-tumor agent Oryctolagus cuniculus ?
-
 ?
3.1.1.1 camptothecin-11 + H2O i.e. CPT-11 Homo sapiens ?
-
 ?
3.1.1.1 camptothecin-11 + H2O i.e. CPT-11 Oryctolagus cuniculus ?
-
 ?
3.1.1.1 clopidogrel + H2O
-
 Homo sapiens (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoic acid + methanol
-
 ?
3.1.1.1 clopidogrel + H2O
-
 Oryctolagus cuniculus (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoic acid + methanol
-
 ?
3.1.1.1 clopidogrel + H2O an anti-thrombogenic agent Homo sapiens (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoic acid + methanol
-
 ?
3.1.1.1 clopidogrel + H2O an anti-thrombogenic agent Oryctolagus cuniculus (2S)-(2-chlorophenyl)(6,7-dihydrothieno[3,2-c]pyridin-5(4H)-yl)ethanoic acid + methanol
-
 ?
3.1.1.1 additional information carboxylesterases are enzymes that hydrolyze a broad suite of endogenous and exogenous ester-containing compounds to the corresponding alcohol and carboxylic acid Homo sapiens ?
-
 ?
3.1.1.1 additional information carboxylesterases are enzymes that hydrolyze a broad suite of endogenous and exogenous ester-containing compounds to the corresponding alcohol and carboxylic acid Oryctolagus cuniculus ?
-
 ?
3.1.1.1 oseltamivir + H2O
-
 Homo sapiens ?
-
 ?
3.1.1.1 oseltamivir + H2O
-
 Oryctolagus cuniculus ?
-
 ?
3.1.1.1 oseltamivir + H2O an anti-viral drug Homo sapiens ?
-
 ?
3.1.1.1 oseltamivir + H2O an anti-viral drug Oryctolagus cuniculus ?
-
 ?

Synonyms

EC Number Synonyms Comment Organism
3.1.1.1 carboxylesterase 1
-
 Homo sapiens
3.1.1.1 CE1
-
 Homo sapiens

General Information

EC Number General Information Comment Organism
3.1.1.1 physiological function carboxylesterases are involved in lipid homeostasis, including cholesterol metabolism and transport with a proposed role in the development of atherosclerosis Homo sapiens
3.1.1.1 physiological function carboxylesterases are involved in lipid homeostasis, including cholesterol metabolism and transport with a proposed role in the development of atherosclerosis Oryctolagus cuniculus