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
Hydrolysis of carboxylic acid ester BTMR0144
Enzimas: 3.1.1.1
Hydrolysis of carboxylic acid ester BTMR0144
Enzimas: 3.1.1.1
16-Hydroxylation of sterol BTMR0408
Reagents

Metabolite: InChI=1S/C25H28...

2-Hydroxylation of sterol BTMR0399
Reagents

Metabolite: InChI=1S/C25H28...

4-Hydroxylation of sterol BTMR0401
Enzimas: CYP1A2 CYP3A4
Reagents

Metabolite: InChI=1S/C25H28...

O-Hydroxylation of monosubstituted benzene BTMR1034
Reagents

Metabolite: InChI=1S/C25H28...

Oxidation of secondary alcohol to ketone BTMR0079
Reagents

Metabolite: InChI=1S/C25H26...

Hydroxylation of benzene on carbon para to electron donating group BTMR1047
Reagents

Metabolite: InChI=1S/C25H28...

m-Hydroxylation of monosubstituted benzene BTMR1033
Reagents

Metabolite: InChI=1S/C25H28...

6-Hydroxylation of sterol BTMR0403
Reagents

Metabolite: InChI=1S/C25H28...

Hydroxylation of methyl carbon adjacent to aliphatic ring BTMR0054
Reagents

Metabolite: InChI=1S/C25H28...

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

Metabolite: InChI=1S/C31H36...