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BRENDA support

Literature summary for 1.2.1.3 extracted from

  • Sodhi, J.K.; Wong, S.; Kirkpatrick, D.S.; Liu, L.; Khojasteh, S.C.; Hop, C.E.; Barr, J.T.; Jones, J.P.; Halladay, J.S.
    A novel reaction mediated by human aldehyde oxidase: amide hydrolysis of GDC-0834 (2015), Drug Metab. Dispos., 43, 908-915.
    View publication on PubMedView publication on EuropePMC

Crystallization (Commentary)

Crystallization (Comment) Organism
in silico modeling studies, substrate (R)-N-(3-(6-(4-(1,4-dimethyl-3-oxopiperazin-2-yl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b] thiophene-2-carboxamide is capable of binding in the active site with the amide bond near the molybdenum cofactor, orientated in such a way to enable potential nucleophilic attack on the carbonyl of the amide bond by the hydroxyl of the molybdenum cofactor Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P05091
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
(R)-N-(3-(6-(4-(1,4-dimethyl-3-oxopiperazin-2-yl)phenylamino)-4-methyl-5-oxo-4,5-dihydropyrazin-2-yl)-2-methylphenyl)-4,5,6,7-tetrahydrobenzo[b] thiophene-2-carboxamide + H2O + O2 i.e. GDC-0834, a Bruton's tyrosine kinase inhibitor, a potential treatment of rheumatoid arthritis. GDC-0834 Homo sapiens ? compound is extensively metabolized by amide hydrolysis by both aldehyde oxidase and carboxylesterase ?

Synonyms

Synonyms Comment Organism
ALDH2
-
Homo sapiens