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
Aromatic OH-glucuronidation BTMR0166
Enzimas: 2.4.1.17
Reagents

Metabolite: InChI=1S/C31H35...

Sulfonation of phenolic compound BTMR1376
Enzimas: 2.8.2.1
Reagents

Metabolite: InChI=1S/C25H27...

Methylation of phenolic compound BTMR1377
Enzimas: 2.1.1.25
Reagents

Metabolite: InChI=1S/C26H29...

O-Hydroxylation of monosubstituted benzene BTMR1034
Reagents

Metabolite: InChI=1S/C25H27...

Hydroxylation of non-terminal aliphatic carbon adjacent to aromatic ring BTMR1077
Reagents

Metabolite: InChI=1S/C25H27...

2-Hydroxylation of 1,4-disubstituted benzene BTMR0037
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C25H27...

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

Metabolite: InChI=1S/C25H27...

Hydroxylation of heteroalicyclic secondary carbon BTMR1071
Enzimas: CYP1A2
Reagents

Metabolite: InChI=1S/C25H27...

N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C18H18...

N-Dealkylation of acyclic secondary amine BTMR1140
N-Dealkylation of acyclic secondary amine BTMR1140
Reagents

Metabolite: InChI=1S/C18H21...

N-Dealkylation of acyclic secondary amine BTMR1140
4'-Dehydroxylation of substituted benzene BTMR1012
Enzimas: Unspecified bacterial dehydroxylase
Reagents

Metabolite: InChI=1S/C25H27...