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Literature summary for 6.5.1.1 extracted from

  • Zhong, S.; Chen, X.; Zhu, X.; Dziegielewska, B.; Bachman, K.E.; Ellenberger, T.; Ballin, J.D.; Wilson, G.M.; Tomkinson, A.E.; MacKerell, A.D.
    Identification and validation of human DNA ligase inhibitors using computer-aided drug design (2008), J. Med. Chem., 51, 4553-4562.
    View publication on PubMedView publication on EuropePMC

Inhibitors

Inhibitors Comment Organism Structure
(2-hydroxyphenyl)(4-hydroxyphenyl)methanone 50.7% inhibition at 0.1 mM Homo sapiens
2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid 59.3% inhibition at 0.1 mM Homo sapiens
2-[(3,5-dibromo-4-methylphenyl)amino]-N'-[(1Z)-(2-hydroxy-5-nitrophenyl)methylidene]acetohydrazide 78.3% inhibition at 0.1 mM Homo sapiens
3-amino-2-[[(1E)-phenylmethylidene]amino]-5-sulfanylphenol 68.8% inhibition at 0.1 mM Homo sapiens
3-[(4-bromophenyl)sulfonyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide 53.4% inhibition at 0.1 mM Homo sapiens
4-([[(4-carboxy-5-methylfuran-2-yl)methyl]sulfanyl]methyl)-5-methylfuran-2-carboxylic acid 91% inhibition at 0.1 mM Homo sapiens
4-chloro-5-[(2Z)-2-[(4-hydroxy-3-nitrophenyl)methylidene]hydrazino]pyridazin-3(2H)-one 59.8% inhibition at 0.1 mM Homo sapiens
5-(methylsulfanyl)thiophene-2-carboxylic acid 60.5% inhibition at 0.1 mM Homo sapiens
7-(4-methoxyphenyl)pteridine-2,4-diol 52.5% inhibition at 0.1 mM Homo sapiens
[(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic acid 60.6% inhibition at 0.1 mM Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P18858
-
-

Source Tissue

Source Tissue Comment Organism Textmining
HCT-116 cell
-
Homo sapiens
-
MCF-10A cell
-
Homo sapiens
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
ATP + (deoxyribonucleotide)n + (deoxyribonucleotide)m
-
Homo sapiens AMP + diphosphate + (deoxyribonucleotide)m+n
-
?

Synonyms

Synonyms Comment Organism
DNA ligase
-
Homo sapiens
LigI
-
Homo sapiens

Cofactor

Cofactor Comment Organism Structure
ATP
-
Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.0006
-
-
Homo sapiens 4-([[(4-carboxy-5-methylfuran-2-yl)methyl]sulfanyl]methyl)-5-methylfuran-2-carboxylic acid
0.004
-
-
Homo sapiens 2,3-dioxo-2,3-dihydro-1H-indole-7-carboxylic acid
0.01
-
-
Homo sapiens 5-(methylsulfanyl)thiophene-2-carboxylic acid
0.013
-
-
Homo sapiens [(7-chloro-4-nitro-2,1,3-benzoxadiazol-5-yl)sulfanyl]acetic acid
0.018
-
-
Homo sapiens 3-[(4-bromophenyl)sulfonyl]-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
0.025
-
-
Homo sapiens 7-(4-methoxyphenyl)pteridine-2,4-diol
0.025
-
-
Homo sapiens (2-hydroxyphenyl)(4-hydroxyphenyl)methanone