Application | Comment | Organism |
---|---|---|
medicine | enzyme inhibition is considered as a treatment option for osteoporosis to ameliorate estrogen deficiency | Homo sapiens |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
(4R,5R)-4-(2-fluorophenyl)-5-[hydroxy(5-phenylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one | - |
Homo sapiens | |
(4R,5R)-5-[hydroxy[5-(pyridin-3-yl)thiophen-2-yl]methyl]-1-methyl-4-phenylpyrrolidin-2-one | - |
Homo sapiens | |
(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-4',5',6,7,8,9,11,12,13,14,15,16-dodecahydrospiro[cyclopenta[a]phenanthrene-17,2'-pyran]-6'(3'H)-one | 85% inhibition at 0.001 mM | Homo sapiens | |
1,2,3,4-tetrahydroquinolin-7-yl 4-(acetylamino)benzenesulfonate | - |
Homo sapiens | |
2-(2,6-dibromo-4-methylphenoxy)-N'-[(E)-(2,4-dihydroxy-6-methylphenyl)methylidene]acetohydrazide | 64% inhibition at 0.02 mM | Homo sapiens | |
2-(2,6-dibromo-4-methylphenoxy)-N'-[(E)-(2,4-dimethoxyphenyl)methylidene]acetohydrazide | 38% inhibition at 0.02 mM | Homo sapiens | |
2-(2-bromo-4,6-dimethylphenoxy)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]acetohydrazide | 91% inhibition at 0.02 mM | Homo sapiens | |
2-(2-bromo-4-methylphenoxy)-N'-[(1E)-1-(2,4-dihydroxyphenyl)ethylidene]acetohydrazide | - |
Homo sapiens | |
2-(acetylamino)phenyl 3,4-dimethylbenzenesulfonate | - |
Homo sapiens | |
2-methoxyphenyl 3-(acetylamino)benzenesulfonate | - |
Homo sapiens | |
2-methoxyphenyl benzenesulfonate | 51% inhibition at 0.02 mM | Homo sapiens | |
3'-hydroxy-N-(3-hydroxyphenyl)-N-methylbiphenyl-4-carboxamide | - |
Homo sapiens | |
3-bromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide | - |
Homo sapiens | |
3-[2-(5-chlorothiophen-2-yl)pyridin-4-yl]phenol | - |
Homo sapiens | |
4-bromo-N-(3-fluorophenyl)benzenesulfonamide | - |
Homo sapiens | |
4-chloro-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide | 45% inhibition at 0.02 mM | Homo sapiens | |
4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide | - |
Homo sapiens | |
4-chloro-N-(4-hydroxyphenyl)benzenesulfonamide | 55% inhibition at 0.02 mM | Homo sapiens | |
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide | - |
Homo sapiens | |
4-chloro-N-[2-(hydroxymethyl)phenyl]benzenesulfonamide | - |
Homo sapiens | |
4-fluoro-N-[2-(1-hydroxyethyl)phenyl]benzenesulfonamide | - |
Homo sapiens | |
4-propanoylphenyl 3-(acetylamino)benzenesulfonate | 67% inhibition at 0.02 mM | Homo sapiens | |
4-[[(4-methoxy-2,5-dimethylphenyl)sulfonyl]amino]benzoic acid | - |
Homo sapiens | |
6-(4-hydroxyphenyl)naphthalen-1-ol | - |
Homo sapiens | |
additional information | ligand-based pharmacophore models for 17beta-HSD2 inhibitors are constructed and employed for virtual screening, structure-activity relationships, overview. No inhibition by 18, 25, 26, 27, 28, 33, 34, 36, 37, 38, 41, 42, 43, 44, 45, and 47 | Homo sapiens | |
N-(2,1,3-benzothiadiazol-4-yl)-2-(pyrimidin-2-ylsulfanyl)acetamide | - |
Homo sapiens | |
N-(2,1,3-benzothiadiazol-4-yl)-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide | 92% inhibition at 0.02 mM | Homo sapiens | |
N-(2,5-dimethoxyphenyl)-2,5-diethylbenzenesulfonamide | - |
Homo sapiens | |
N-(2-hydroxyphenyl)-2-methyl-4-(trifluoromethyl)benzenesulfonamide | 94% inhibition at 0.02 mM | Homo sapiens | |
N-(2-[[(2,3,5,6-tetramethylphenyl)sulfonyl]amino]phenyl)acetamide | - |
Homo sapiens | |
N-(3-chloro-4-fluorophenyl)-4-fluorobenzenesulfonamide | 45% inhibition at 0.02 mM | Homo sapiens | |
N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide | 91% inhibition at 0.02 mM | Homo sapiens | |
N-(3-chlorophenyl)-4-fluorobenzenesulfonamide | - |
Homo sapiens | |
N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide | 75% inhibition at 0.02 mM | Homo sapiens | |
N-(3-hydroxy-4-methylphenyl)-4-methoxybenzenesulfonamide | 47% inhibition at 0.02 mM | Homo sapiens | |
N-(3-hydroxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide | - |
Homo sapiens | |
N-(3-hydroxybenzyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide | - |
Homo sapiens | |
N-(3-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide | 47% inhibition at 0.02 mM | Homo sapiens | |
N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide | 85% inhibition at 0.02 mM | Homo sapiens | |
N-(3-hydroxyphenyl)-4-methoxy-2-methyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide | - |
Homo sapiens | |
N-(3-hydroxyphenyl)benzenesulfonamide | - |
Homo sapiens | |
N-(4-chlorophenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide | - |
Homo sapiens | |
N-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methoxybenzenesulfonamide | - |
Homo sapiens | |
N-(4-hydroxyphenyl)-2,4,6-trimethylbenzenesulfonamide | 33% inhibition at 0.02 mM | Homo sapiens | |
N-(4-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide | 39% inhibition at 0.02 mM | Homo sapiens | |
N-(4-methoxyphenyl)-2,5-dimethylbenzenesulfonamide | - |
Homo sapiens | |
N-(5-chloro-2-hydroxyphenyl)-4-fluoro-3-methylbenzenesulfonamide | 44% inhibition at 0.02 mM | Homo sapiens | |
N-(5-chloro-2-methylphenyl)-4-fluorobenzenesulfonamide | - |
Homo sapiens | |
N-[[5-(2,5-dichlorophenyl)furan-2-yl]methyl]-2H-tetrazol-5-amine | 71% inhibition at 0.02 mM | Homo sapiens |
Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|
17beta-estradiol + NAD+ | Homo sapiens | - |
estrone + NADH + H+ | - |
? |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Homo sapiens | P37059 | - |
- |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
17beta-estradiol + NAD+ | - |
Homo sapiens | estrone + NADH + H+ | - |
? |
Synonyms | Comment | Organism |
---|---|---|
17beta-HSD2 | - |
Homo sapiens |
17beta-hydroxysteroid dehydrogenase 2 | - |
Homo sapiens |
Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
---|---|---|---|
37 | - |
assay at | Homo sapiens |
pH Optimum Minimum | pH Optimum Maximum | Comment | Organism |
---|---|---|---|
7.4 | - |
phosphate buffer, assay at | Homo sapiens |
Cofactor | Comment | Organism | Structure |
---|---|---|---|
NAD+ | - |
Homo sapiens |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.00001 | - |
pH 7.4, 37°C | Homo sapiens | (4R,5R)-4-(2-fluorophenyl)-5-[hydroxy(5-phenylthiophen-2-yl)methyl]-1-methylpyrrolidin-2-one | |
0.00005 | - |
pH 7.4, 37°C | Homo sapiens | (4R,5R)-5-[hydroxy[5-(pyridin-3-yl)thiophen-2-yl]methyl]-1-methyl-4-phenylpyrrolidin-2-one | |
0.000061 | - |
pH 7.4, 37°C | Homo sapiens | 3'-hydroxy-N-(3-hydroxyphenyl)-N-methylbiphenyl-4-carboxamide | |
0.000161 | - |
pH 7.4, 37°C | Homo sapiens | N-(3-hydroxybenzyl)-5-(4-methoxyphenyl)-N-methylthiophene-2-carboxamide | |
0.000164 | - |
pH 7.4, 37°C | Homo sapiens | N-(3-hydroxybenzyl)-N-methyl-5-(3-methylphenyl)thiophene-2-carboxamide | |
0.000302 | - |
pH 7.4, 37°C | Homo sapiens | 6-(4-hydroxyphenyl)naphthalen-1-ol | |
0.00047 | - |
pH 7.4, 37°C | Homo sapiens | 3-[2-(5-chlorothiophen-2-yl)pyridin-4-yl]phenol | |
0.001 | - |
pH 7.4, 37°C | Homo sapiens | 4-chloro-N-(3-hydroxyphenyl)-2,5-dimethylbenzenesulfonamide | |
0.0011 | - |
pH 7.4, 37°C | Homo sapiens | N-(2,1,3-benzothiadiazol-4-yl)-2-[(4-hydroxypyrimidin-2-yl)sulfanyl]acetamide | |
0.003 | 0.01 | pH 7.4, 37°C | Homo sapiens | N-(3-chloro-4-hydroxyphenyl)-4-fluorobenzenesulfonamide | |
0.0033 | - |
pH 7.4, 37°C | Homo sapiens | N-(3-hydroxyphenyl)-2,4,5-trimethylbenzenesulfonamide | |
0.0049 | - |
pH 7.4, 37°C | Homo sapiens | N-(3-hydroxyphenyl)benzenesulfonamide | |
0.0063 | - |
pH 7.4, 37°C | Homo sapiens | 3-bromo-N-(3-hydroxy-4-methylphenyl)benzenesulfonamide | |
0.0069 | - |
pH 7.4, 37°C | Homo sapiens | N-(3-hydroxyphenyl)-4-methoxy-2,5-dimethylbenzenesulfonamide | |
0.0071 | - |
pH 7.4, 37°C | Homo sapiens | N-(3-hydroxy-4-methylphenyl)-3-(trifluoromethyl)benzenesulfonamide | |
0.0096 | - |
pH 7.4, 37°C | Homo sapiens | N-(4-hydroxy-5,6,7,8-tetrahydronaphthalen-1-yl)-4-methoxybenzenesulfonamide | |
0.015 | - |
pH 7.4, 37°C | Homo sapiens | N-(3-hydroxyphenyl)-4-methoxy-2-methyl-5,6,7,8-tetrahydronaphthalene-1-sulfonamide | |
0.023 | - |
pH 7.4, 37°C | Homo sapiens | 2-(2-bromo-4,6-dimethylphenoxy)-N'-[(E)-(2,4-dihydroxyphenyl)methylidene]acetohydrazide | |
0.24 | 0.52 | pH 7.4, 37°C | Homo sapiens | N-(2-hydroxyphenyl)-2-methyl-4-(trifluoromethyl)benzenesulfonamide |
General Information | Comment | Organism |
---|---|---|
physiological function | 17beta-hydroxysteroid dehydrogenase 2 catalyzes the inactivation of estradiol into estrone | Homo sapiens |