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Literature summary extracted from
- A concerted, rational design of type 1 17beta-hydroxysteroid dehydrogenase inhibitors: estradiol-adenosine hybrids with high affinity (2002), FASEB J., 16, 1829-1831.
Application
| EC Number | Application | Comment | Organism |
|---|---|---|---|
| 1.1.1.62 | medicine | target for suppression of estrogen synthesis in breast cancer | Homo sapiens |
Crystallization (Commentary)
| EC Number | Crystallization (Comment) | Organism |
|---|---|---|
| 1.1.1.62 | hanging drop vapor diffusion method | Homo sapiens |
Inhibitors
| EC Number | Inhibitors | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.1.1.62 | EM-1745 | strong competitive inhibitor, inhibition reversible, 50% inhibition at 52 nM | Homo sapiens |  |
Natural Substrates/ Products (Substrates)
| EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 1.1.1.62 | estrone + NADPH + H+ | Homo sapiens | final step in the synthesis of active estrogens | estradiol-17beta + NADP+ | - |
? | |
Organism
| EC Number | Organism | UniProt | Comment | Textmining |
|---|---|---|---|---|
| 1.1.1.62 | Homo sapiens | P14061 | isotype 1, 17beta-HSD type 1 | - |
Purification (Commentary)
| EC Number | Purification (Comment) | Organism |
|---|---|---|
| 1.1.1.62 | - |
Homo sapiens |
Source Tissue
| EC Number | Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|---|
| 1.1.1.62 | placenta | - |
Homo sapiens | - |
Substrates and Products (Substrate)
| EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
|---|---|---|---|---|---|---|---|
| 1.1.1.62 | 5-androstene-3beta-ol-17-one + NADPH | - |
Homo sapiens | 5-androstene-3beta,17beta-diol + NADP+ | - |
? | |
| 1.1.1.62 | estrone + NADPH + H+ | - |
Homo sapiens | estradiol-17beta + NADP+ | - |
? | |
| 1.1.1.62 | estrone + NADPH + H+ | final step in the synthesis of active estrogens | Homo sapiens | estradiol-17beta + NADP+ | - |
? | |
Cofactor
| EC Number | Cofactor | Comment | Organism | Structure |
|---|---|---|---|---|
| 1.1.1.62 | NADPH | - |
Homo sapiens | |
Ki Value [mM]
| EC Number | Ki Value [mM] | Ki Value maximum [mM] | Inhibitor | Comment | Organism | Structure |
|---|---|---|---|---|---|---|
| 1.1.1.62 | 0.000003 | - |
EM-1745 | pH 7.5, 37°C | Homo sapiens | |
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Release 2023.1 (January 2023)
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