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Literature summary for 1.8.1.B1 extracted from

  • Saiz, C.; Castillo, V.; Fontan, P.; Bonilla, M.; Salinas, G.; Rodriguez-Haralambides, A.; Mahler, S.G.
    Discovering Echinococcus granulosus thioredoxin glutathione reductase inhibitors through site-specific dynamic combinatorial chemistry (2014), Mol. Divers., 18, 1-12 .
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
(3R,5R,8R) 5-(((3-carboxy-4-nitrophenyl)disulfanyl)methyl)tetrahydro-2H-thiazolo[4,3-b]thiazole-3-carboxylic acid
-
Echinococcus granulosus
5-(((3-carboxy-4-nitrophenyl)disulfanyl)methyl) (2RS,5RS)-3,3a-dihydro-benzo[d]thiazolo[4,3-b]thiazole
-
Echinococcus granulosus

Organism

Organism UniProt Comment Textmining
Echinococcus granulosus F8QQF4
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
5,5'-dithiobis(2-nitrobenzoic acid) + NADPH + H+
-
Echinococcus granulosus 2-nitro-5-thiobenzoate + NADP+
-
?

Cofactor

Cofactor Comment Organism Structure
NADPH
-
Echinococcus granulosus

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.014
-
pH 7.0, 25°C Echinococcus granulosus 5-(((3-carboxy-4-nitrophenyl)disulfanyl)methyl) (2RS,5RS)-3,3a-dihydro-benzo[d]thiazolo[4,3-b]thiazole
0.024
-
pH 7.0, 25°C Echinococcus granulosus (3R,5R,8R) 5-(((3-carboxy-4-nitrophenyl)disulfanyl)methyl)tetrahydro-2H-thiazolo[4,3-b]thiazole-3-carboxylic acid