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Literature summary for 3.1.3.11 extracted from

  • Bie, J.; Liu, S.; Zhou, J.; Xu, B.; Shen, Z.
    Design, synthesis and biological evaluation of 7-nitro-1H-indole-2-carboxylic acid derivatives as allosteric inhibitors of fructose-1,6-bisphosphatase (2014), Bioorg. Med. Chem., 22, 1850-1862.
    View publication on PubMed

Cloned(Commentary)

Cloned (Comment) Organism
expression in BL21 Rosetta cell Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
3-ethyl-5-isobutyl-7-nitro-1H-indole-2-carboxylic acid molecular modeling of binding mode. The key hydrogen bonding interactions are observed between the carboxylate and residues Thr 27, Lys 112 and Arg 140, which are also recognized by the phosphate group in AMP. This hydrogen bonding network may make crucial contributions to the binding affinity. The indole ring is situated in a hydrophobic pocket involved in residues Leu30 and Leu34. The 7-nitro group interacted with the hydroxyl group of Thr31 via a hydrogen bond Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
liver
-
Homo sapiens
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00099
-
pH 7.5, 37°C Homo sapiens 3-ethyl-5-isobutyl-7-nitro-1H-indole-2-carboxylic acid