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Literature summary for 2.3.3.8 extracted from

  • Jernigan, F.E.; Hanai, J.I.; Sukhatme, V.P.; Sun, L.
    Discovery of furan carboxylate derivatives as novel inhibitors of ATP-citrate lyase via virtual high-throughput screening (2017), Bioorg. Med. Chem. Lett., 27, 929-935 .
    View publication on PubMed
Search for more literature for 2.3.3.8

Application

Application Comment Organism
drug development the dysfunction and upregulation of ATP citrate lyase in numerous cancers makes it an attractive target for developing anticancer therapies. ATP citrate lyase inhibition by shRNA knockdown limits cancer cell proliferation and reduces cancer stemness Homo sapiens

Inhibitors

Inhibitors Comment Organism Structure
4-[[(2-hexyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl]-5-methylfuran-2-carboxylic acid 0.01 mM, 95% inhibition. 0.1 mM, 100% inhibition Homo sapiens
4-[[(3,4-dibenzyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-5-methylfuran-2-carboxylic acid 0.01 mM, 3% inhibition. 0.1 mM, 64% inhibition Homo sapiens
4-[[(3,4-dibenzyl-6-methyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]-5-methylfuran-2-carboxylic acid 0.01 mM, 32% inhibition. 0.1 mM, 84% inhibition Homo sapiens
4-[[(6-hexyl-2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl]-5-methylfuran-2-carboxylic acid 0.01 mM, 53% inhibition. 0.1 mM, 92% inhibition Homo sapiens
5-methyl-4-[[(2-oxo-4-phenyl-2H-1-benzopyran-7-yl)oxy]methyl]furan-2-carboxylic acid 0.01 mM,32% inhibition. 0.1 mM, 84% inhibition Homo sapiens
5-methyl-4-[[(2-oxo-4-phenyl-6-propyl-2H-1-benzopyran-7-yl)oxy]methyl]furan-2-carboxylic acid 0.01 mM, 97% inhibition. 0.1 mM, 97% inhibition Homo sapiens
5-methyl-4-[[(4-methyl-2-oxo-3-phenyl-2H-1-benzopyran-7-yl)oxy]methyl]furan-2-carboxylic acid 0.01 mM, 45% inhibition. 0.1 mM, 101% inhibition Homo sapiens
5-methyl-4-[[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl]furan-2-carboxylic acid 0.01 mM, 17% inhibition. 0.1 mM, 90% inhibition Homo sapiens
5-[(2,3-dimethylbenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylic acid 0.01 mM, 11% inhibition. 0.1 mM, 43% inhibition Homo sapiens
5-[(4-fluoro-2-methylbenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylic acid 0.01 mM, 3% inhibition. 0.1 mM, 9% inhibition Homo sapiens
5-[(4-fluorobenzene-1-sulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylic acid 0.01 mM, 19% inhibition. 0.1 mM, 70% inhibition Homo sapiens
5-[(4-methyl-3-nitrobenzene-1-sulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylic acid 0.01 mM,21% inhibition. 0.1 mM, 89% inhibition Homo sapiens
5-[(4-methylbenzene-1-sulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylic acid 0.01 mM, 23% inhibition. 0.1 mM, 93% inhibition Homo sapiens
5-[(benzenesulfonyl)amino]-2-phenyl-1-benzofuran-3-carboxylic acid 0.01 mM, 11% inhibition. 0.1 mM, 56% inhibition Homo sapiens
5-[[(3,4-dibenzyl-2-oxo-2H-1-benzopyran-7-yl)oxy]methyl]furan-2-carboxylic acid 0.01 mM, 9% inhibition. 0.1 mM, 49% inhibition Homo sapiens
5-[[(4-methyl-6-oxo-7,8,9,10-tetrahydro-6H-dibenzo[b,d]pyran-3-yl)oxy]methyl]furan-2-carboxylic acid 0.01 mM, 18% inhibition. 0.1 mM, 88% inhibition Homo sapiens
6,7-dibenzyl-2-methyl-5-[(4-methylbenzene-1-sulfonyl)amino]-1-benzofuran-3-carboxylic acid 0.01 mM, 12% inhibition. 0.1 mM, 42% inhibition Homo sapiens
6,7-dibenzyl-5-[(4-ethylbenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylic acid 0.01 mM, 42% inhibition. 0.1 mM, 97% inhibition Homo sapiens
6,7-dibenzyl-5-[(4-fluorobenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylic acid 0.01 mM, 28% inhibition. 0.1 mM, 95% inhibition Homo sapiens
6,7-dibenzyl-5-[(4-tert-butylbenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylic acid 0.01 mM, 16% inhibition. 0.1 mM, 59% inhibition Homo sapiens
BMS-303141
-
 Homo sapiens

Localization

Localization Comment Organism GeneOntology No. Textmining
cytosol
-
 Homo sapiens 5829
-

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
ATP + citrate + CoA Homo sapiens the enzyme catalyzes the formation of cytosolic acetyl CoA, the starting material for de novo lipid and cholesterol biosynthesis ADP + phosphate + acetyl-CoA + oxaloacetate
-
 ?

Organism

Organism UniProt Comment Textmining
Homo sapiens P53396
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + citrate + CoA
-
 Homo sapiens ADP + phosphate + acetyl-CoA + oxaloacetate
-
 ?
ATP + citrate + CoA the enzyme catalyzes the formation of cytosolic acetyl CoA, the starting material for de novo lipid and cholesterol biosynthesis Homo sapiens ADP + phosphate + acetyl-CoA + oxaloacetate
-
 ?

Synonyms

Synonyms Comment Organism
ACL
-
 Homo sapiens
ATP citrate lyase
-
 Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.000377
-
 pH 8.0, temperature not specified in the publication Homo sapiens BMS-303141
0.0041
-
 pH 8.0, temperature not specified in the publication Homo sapiens 5-methyl-4-[[(2-oxo-4-phenyl-6-propyl-2H-1-benzopyran-7-yl)oxy]methyl]furan-2-carboxylic acid
0.0119
-
 pH 8.0, temperature not specified in the publication Homo sapiens 5-methyl-4-[[(4-methyl-2-oxo-3-phenyl-2H-1-benzopyran-7-yl)oxy]methyl]furan-2-carboxylic acid
0.0138
-
 pH 8.0, temperature not specified in the publication Homo sapiens 6,7-dibenzyl-5-[(4-ethylbenzene-1-sulfonyl)amino]-2-methyl-1-benzofuran-3-carboxylic acid

General Information

General Information Comment Organism
metabolism the enzyme catalyzes the formation of cytosolic acetyl CoA, the starting material for de novo lipid and cholesterol biosynthesis Homo sapiens