Literature summary for 2.3.1.82 extracted from

Lin, D.L.; Tran, T.; Adams, C.; Alam, J.Y.; Herron, S.R.; Tolmasky, M.E.
Inhibitors of the aminoglycoside 6-N-acetyltransferase type Ib [AAC(6)-Ib] identified by in silico molecular docking (2013), Bioorg. Med. Chem. Lett., 23, 5694-5698.

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Inhibitors

Inhibitors	Comment	Organism	Structure
2-[5-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl]benzoic acid	identified by in silico molecular docking, micromolar activity in inhibiting acetylation of kanamycin A	Escherichia coli
4-[(2-[[1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl]phenoxy)methyl]benzoic acid	identified by in silico molecular docking, micromolar activity in inhibiting acetylation of kanamycin A	Escherichia coli

Organism

Organism	UniProt	Comment	Textmining
Escherichia coli	Q6SJ71	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
acetyl-CoA + kanamycin A	-	Escherichia coli	CoA + N6'-acetylkanamycin A	-	?

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.012	-	substrate kanamycin A, pH 7.5, temperature not specified in the publication	Escherichia coli	2-[5-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl]benzoic acid
0.015	-	substrate kanamycin A, pH 7.5, temperature not specified in the publication	Escherichia coli	4-[(2-[[1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl]phenoxy)methyl]benzoic acid
0.016	-	substrate acetyl-CoA, pH 7.5, temperature not specified in the publication	Escherichia coli	4-[(2-[[1-(3-methylphenyl)-4,6-dioxo-2-thioxotetrahydro-5(2H)-pyrimidinylidene]methyl]phenoxy)methyl]benzoic acid
0.035	-	substrate acetyl-CoA, pH 7.5, temperature not specified in the publication	Escherichia coli	2-[5-[(4,6-dioxo-1,3-diphenyl-2-thioxotetrahydro-5(2H)-pyrimidinylidene)methyl]-2-furyl]benzoic acid

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Release 2023.1 (January 2023)