Perspectivas avanzadas

En lo siguiente, proporcionamos un análisis más avanzado sobre las interacciones de una molécula con el metabolismo humano, sitios de acoplamiento, etc.

Interacción de esta molécula con el metabolismo

Utilizamos un modelo de Aprendizaje Profundo para predecir las interacciones de esta molécula con el metabolismo. Consulta la fuente para entender la metodología.

Reacciones que metabolizan esta molécula
Dehydrogenation of 17-beta-hydroxysteroid BTMR0370
Enzimas: 1.1.1.239
Reagents

Metabolite: InChI=1S/C25H31...

Nitroreduction of nitroarene to hydroxylamine BTMR1222
Enzimas: 1.6.2.4
Reagents

Metabolite: InChI=1S/C25H35...

11-beta-Hydroxylation of sterol BTMR0406
Enzimas: 1.14.15.4
Reagents

Metabolite: InChI=1S/C25H33...

17-OH-Glucuronidation of sterol BTMR0163
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C31H41...

16-Hydroxylation of sterol BTMR0407
Reagents

Metabolite: InChI=1S/C25H33...

2-Hydroxylation of sterol BTMR0398
Reagents

Metabolite: InChI=1S/C25H33...

4-Hydroxylation of sterol BTMR0400
Enzimas: CYP1A2 CYP3A4
Reagents

Metabolite: InChI=1S/C25H33...

6-Hydroxylation of sterol BTMR0402
Reagents

Metabolite: InChI=1S/C25H33...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C25H33...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C25H33...

Nitroreduction of nitroarene to nitrosoarene BTMR1293
Enzimas: Bacterial oxygen-insensitive NADPH nitroreductase
Reagents

Metabolite: InChI=1S/C25H33...

Reacciones que el metabolismo produce a partir de esta molécula
Hydrolysis of carboxylic acid ester BTMR0143
Enzimas: 3.1.1.1