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Literature summary extracted from

  • Tso, S.C.; Gui, W.J.; Wu, C.Y.; Chuang, J.L.; Qi, X.; Skvora, K.J.; Dork, K.; Wallace, A.L.; Morlock, L.K.; Lee, B.H.; Hutson, S.M.; Strom, S.C.; Williams, N.S.; Tambar, U.K.; Wynn, R.M.; Chuang, D.T.
    Benzothiophene carboxylate derivatives as novel allosteric inhibitors of branched-chain alpha-ketoacid dehydrogenase kinase (2014), J. Biol. Chem., 289, 20583-20593.
    View publication on PubMedView publication on EuropePMC

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
2.7.11.4 in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid Homo sapiens
2.7.11.4 in complex with 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid Mus musculus

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.7.11.4 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid
-
 Homo sapiens
2.7.11.4 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid
-
 Mus musculus
2.7.11.4 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
-
 Homo sapiens
2.7.11.4 3-chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
-
 Mus musculus
2.7.11.4 N,N'-(1,2,5-oxadiazole-3,4-diyl)bis(3,6-dichlorobenzo[b]thiophene-2-carboxamide
-
 Homo sapiens
2.7.11.4 N,N'-(1,2,5-oxadiazole-3,4-diyl)bis(3,6-dichlorobenzo[b]thiophene-2-carboxamide
-
 Mus musculus
2.7.11.4 N-(4-acetamido-1,2,5-oxadiazol-3-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide
-
 Homo sapiens
2.7.11.4 N-(4-acetamido-1,2,5-oxadiazol-3-yl)-3,6-dichlorobenzo[b]thiophene-2-carboxamide
-
 Mus musculus

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.7.11.4 ATP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] Homo sapiens
-
 ADP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] phosphate
-
 ?
2.7.11.4 ATP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] Mus musculus
-
 ADP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] phosphate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
2.7.11.4 Homo sapiens Q14874
-
-
2.7.11.4 Mus musculus O55028
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
2.7.11.4 heart
-
 Mus musculus
-
2.7.11.4 kidney
-
 Mus musculus
-
2.7.11.4 liver
-
 Mus musculus
-
2.7.11.4 lymphoblast
-
 Homo sapiens
-
2.7.11.4 MEF cell
-
 Mus musculus
-
2.7.11.4 muscle
-
 Mus musculus
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.7.11.4 ATP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)]
-
 Homo sapiens ADP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] phosphate
-
 ?
2.7.11.4 ATP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)]
-
 Mus musculus ADP + [3-methyl-2-oxobutanoate dehydrogenase (acetyl-transferring)] phosphate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
2.7.11.4 BCKDC kinase
-
 Homo sapiens
2.7.11.4 BCKDC kinase
-
 Mus musculus
2.7.11.4 BDK
-
 Homo sapiens
2.7.11.4 BDK
-
 Mus musculus
2.7.11.4 branched-chain alpha-ketoacid dehydrogenase kinase
-
 Homo sapiens
2.7.11.4 branched-chain alpha-ketoacid dehydrogenase kinase
-
 Mus musculus

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.7.11.4 0.00319
-
 pH and temperature not specified in the publication Homo sapiens 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid
2.7.11.4 0.00319
-
 pH and temperature not specified in the publication Mus musculus 3,6-dichlorobenzo[b]thiophene-2-carboxylic acid