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Literature summary extracted from
- Predominant contributions of carboxylesterase 1 and 2 in hydrolysis of anordrin in humans (2018), Xenobiotica, 48, 533-540 .
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 3.1.1.1 | bis-4-nitrophenyl phosphate | BNPP; BNPP | Homo sapiens |  |
| 3.1.1.1 | Digitonin | specifically inhibits CES1 | Homo sapiens | |
| 3.1.1.1 | loperamide | specifically inhibits CES2 | Homo sapiens | |
| 3.1.1.1 | additional information | no inhibition of CES1 by loperamide; no inhibition of CES2 by digitonin | Homo sapiens | |
| 3.1.1.1 | simvastatin | strongly inhibits hydrolytic process of anordrin in liver and intestine microsomes; strongly inhibits hydrolytic process of anordrin in liver and intestine microsomes | Homo sapiens | |
KM Value [mM]
| EC Number | KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 3.1.1.1 | additional information | - |
additional information | Michaelis-Menten kinetics, overview | Homo sapiens | |
| 3.1.1.1 | 0.00224 | - |
2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate | intestinal microsomes, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.1 | 0.00283 | - |
2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate | liver microsomes, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.1 | 0.0136 | - |
2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate | CES1, pH 7.4, 37°C | Homo sapiens | |
| 3.1.1.1 | 0.0169 | - |
2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate | CES1, pH 7.4, 37°C | Homo sapiens | |
Localization
| EC Number | Localization | Comment | Organism | GeneOntology No. | Textmining |
|---|---|---|---|---|---|
| 3.1.1.1 | microsome | - |
Homo sapiens | - |
- |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.1.1.1 | 2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate + 2 H2O | Homo sapiens | i.e anordrin | anordiol + 2 propanoate | - |
? | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 3.1.1.1 | Homo sapiens | O00748 | - |
- |
| 3.1.1.1 | Homo sapiens | P23141 | - |
- |
Source Tissue
| EC Number | Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|---|
| 3.1.1.1 | epithelial cell | high expression of CES2 in human intestine epithelial cells | Homo sapiens | - |
| 3.1.1.1 | intestine | - |
Homo sapiens | - |
| 3.1.1.1 | intestine | CES2 is mainly expressed in the intestine | Homo sapiens | - |
| 3.1.1.1 | liver | - |
Homo sapiens | - |
| 3.1.1.1 | liver | CES1 is mainly expressed in the liver | Homo sapiens | - |
| 3.1.1.1 | additional information | no enzyme activity against anordrin in human blood and plasma | Homo sapiens | - |
Specific Activity [micromol/min/mg]
| EC Number | Specific Activity Minimum [µmol/min/mg] | Specific Activity Maximum [µmol/min/mg] | Comment | Organism |
|---|---|---|---|---|
| 3.1.1.1 | 0.0000544 | - |
2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate hydrolysis, intestinal microsomes, pH 7.4, 37°C | Homo sapiens |
| 3.1.1.1 | 0.000123 | - |
2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate hydrolysis, CES1, pH 7.4, 37°C | Homo sapiens |
| 3.1.1.1 | 0.000137 | - |
2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate hydrolysis, CES2, pH 7.4, 37°C | Homo sapiens |
| 3.1.1.1 | 0.000476 | - |
2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate hydrolysis, liver microsomes, pH 7.4, 37°C | Homo sapiens |
| 3.1.1.1 | 0.00334 | - |
procaine hydrolysis, CES2 isozyme, pH 7.4, 37°C | Homo sapiens |
| 3.1.1.1 | 0.004 | - |
procaine hydrolysis, liver microsomes, pH 7.4, 37°C | Homo sapiens |
| 3.1.1.1 | 0.0928 | - |
fenofibrate hydrolysis, CES1 isozyme, pH 7.4, 37°C | Homo sapiens |
| 3.1.1.1 | 0.213 | - |
fenofibrate hydrolysis, liver microsomes, pH 7.4, 37°C | Homo sapiens |
| 3.1.1.1 | 50.4 | - |
phenacetin hydrolysis, liver microsomes, pH 7.4, 37°C | Homo sapiens |
| 3.1.1.1 | 102 | - |
phenacetin hydrolysis, intestinal microsomes, pH 7.4, 37°C | Homo sapiens |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 3.1.1.1 | 2alpha,17alpha-diethynyl-A-nor-5alpha-androstane-2beta,17beta-diol dipropionate + 2 H2O | i.e anordrin | Homo sapiens | anordiol + 2 propanoate | - |
? | |
| 3.1.1.1 | fenofibrate + H2O | - |
Homo sapiens | ? | - |
? | |
| 3.1.1.1 | phenacetin + H2O | - |
Homo sapiens | ? | - |
? | |
| 3.1.1.1 | procaine + H2O | - |
Homo sapiens | ? | - |
? | |
Synonyms
| EC Number | Synonyms | Comment | Organism |
|---|---|---|---|
| 3.1.1.1 | carboxylesterase 1 | - |
Homo sapiens |
| 3.1.1.1 | carboxylesterase 2 | - |
Homo sapiens |
| 3.1.1.1 | CES1 | - |
Homo sapiens |
| 3.1.1.1 | CES2 | - |
Homo sapiens |
Temperature Optimum [°C]
| EC Number | Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|---|
| 3.1.1.1 | 37 | - |
assay at | Homo sapiens |
pH Optimum
| EC Number | pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
|---|---|---|---|---|
| 3.1.1.1 | 7.4 | - |
assay at | Homo sapiens |
IC50 Value
| EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|---|
| 3.1.1.1 | 0.00694 | - |
inhibition of the enzyme in intestinal microsomes, pH 7.4, 37°C | Homo sapiens | simvastatin | |
| 3.1.1.1 | 0.0109 | - |
inhibition of the enzyme in liver microsomes, pH 7.4, 37°C | Homo sapiens | simvastatin | |
General Information
| EC Number | General Information | Comment | Organism |
|---|---|---|---|
| 3.1.1.1 | physiological function | role of carboxylesterases in the hydrolysis of the post-coital contraceptive drug anordrin in humans. CES1 shows a higher activity in liver. Anordriol shows a several fold higher affinity than anordrin for cytosol estrogen receptor | Homo sapiens |
| 3.1.1.1 | physiological function | role of carboxylesterases in the hydrolysis of the post-coital contraceptive drug anordrin in humans. Isozyme carboxylesterase (CES) 1 contributes more activity than isozyme CES2 in human liver. Anordriol shows a several fold higher affinity than anordrin for cytosol estrogen receptor | Homo sapiens |
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