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Literature summary for 4.1.1.84 extracted from

  • Xiao, Z.; Osipyan, A.; Song, S.; Chen, D.; Schut, R.A.; van Merkerk, R.; van der Wouden, P.E.; Cool, R.H.; Quax, W.J.; Melgert, B.N.; Poelarends, G.J.; Dekker, F.J.
    Thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione derivative inhibits D-dopachrome tautomerase activity and suppresses the proliferation of non-small cell lung cancer cells (2022), J. Med. Chem., 65, 2059-2077.
    View publication on PubMed
Search for more literature for 4.1.1.84

Inhibitors

Inhibitors Comment Organism Structure
(R)-2-amino-4-methyl-N-(1-(naphthalen-1-yl)ethyl)-5-(3-(trifluoromethyl)phenyl)thiophene-3-carboxamide
-
 Homo sapiens
(R)-5-methyl-3-(1-(naphthalen-1-yl)ethyl)-6-(3-(trifluoromethyl)-phenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione suppresses the proliferation of non-small cell lung cancer cells in two-dimensional and three-dimensional cell cultures, low micromolar level potency for inhibition of both MIF2 tautomerase activity and cancer cell proliferation Homo sapiens
(S)-5-methyl-3-(1-(naphthalen-1-yl)ethyl)-6-(3-(trifluoromethyl)-phenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
2-amino-4-methyl-N-[(naphthalen-1-yl)methyl]-5-(3-(trifluoromethyl)phenyl)thiophene-3-carboxamide
-
 Homo sapiens
3-benzyl-5-methyl-6-(3-(trifluoromethyl)phenyl)thieno[2,3-d]-pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
3-benzyl-6-(2,4-dichlorophenyl)-5-methylthieno[2,3-d]-pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
3-benzyl-6-(3,4-dichlorophenyl)-5-methylthieno[2,3-d]-pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
5-methyl-3-(naphthalen-1-ylmethyl)-6-(3-(trifluoromethyl)-phenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
6-(4-chlorophenyl)-2-(3-methoxybenzyl)-5-methylthieno[2,3-d]-pyrimidin-4(1H)-one
-
 Homo sapiens
6-(4-chlorophenyl)-5-methyl-3-(4-(trifluoromethyl)benzyl)-thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens
6-(benzo[d][1,3]dioxol-5-yl)-3-benzyl-5-methylthieno[2,3-d]-pyrimidine-2,4(1H,3H)-dione
-
 Homo sapiens

KM Value [mM]

KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
2.17
-
 4-chlorophenylpyruvate pH 6.2, 23°C Homo sapiens
2.4
-
 phenylpyruvate pH 6.2, 23°C Homo sapiens
3.6
-
 4-hydroxyphenylpyruvate pH 6.2, 23°C Homo sapiens
6.7
-
 4-methoxyphenylpyruvate pH 6.2, 23°C Homo sapiens

Organism

Organism UniProt Comment Textmining
Homo sapiens P30046
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4-chlorophenylpyruvate
-
 Homo sapiens 4-chlorophenylpyruvate
-
 ?
4-hydroxyphenylpyruvate
-
 Homo sapiens 4-hydroxyphenylpyruvate
-
 ?
4-methoxyphenylpyruvate
-
 Homo sapiens 4-methoxyphenylpyruvate
-
 ?
Phenylpyruvate
-
 Homo sapiens Phenylpyruvate
-
 ?

Synonyms

Synonyms Comment Organism
DDT
-
 Homo sapiens
MIF2
-
 Homo sapiens

Turnover Number [1/s]

Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
2 8 4-methoxyphenylpyruvate pH 6.2, 23°C Homo sapiens
13
-
 4-hydroxyphenylpyruvate pH 6.2, 23°C Homo sapiens
68
-
 4-chlorophenylpyruvate pH 6.2, 23°C Homo sapiens
132
-
 phenylpyruvate pH 6.2, 23°C Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.00081
-
 pH 6.0, 22°C Homo sapiens 5-methyl-3-(naphthalen-1-ylmethyl)-6-(3-(trifluoromethyl)-phenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
0.001
-
 pH 6.0, 22°C Homo sapiens (R)-5-methyl-3-(1-(naphthalen-1-yl)ethyl)-6-(3-(trifluoromethyl)-phenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
0.0017
-
 pH 6.0, 22°C Homo sapiens 3-benzyl-5-methyl-6-(3-(trifluoromethyl)phenyl)thieno[2,3-d]-pyrimidine-2,4(1H,3H)-dione
0.0019
-
 pH 6.0, 22°C Homo sapiens 3-benzyl-6-(3,4-dichlorophenyl)-5-methylthieno[2,3-d]-pyrimidine-2,4(1H,3H)-dione
0.0025
-
 pH 6.0, 22°C Homo sapiens (S)-5-methyl-3-(1-(naphthalen-1-yl)ethyl)-6-(3-(trifluoromethyl)-phenyl)thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione
0.0026
-
 pH 6.0, 22°C Homo sapiens 2-amino-4-methyl-N-[(naphthalen-1-yl)methyl]-5-(3-(trifluoromethyl)phenyl)thiophene-3-carboxamide
0.0035
-
 pH 6.0, 22°C Homo sapiens 3-benzyl-6-(2,4-dichlorophenyl)-5-methylthieno[2,3-d]-pyrimidine-2,4(1H,3H)-dione
0.0042
-
 pH 6.0, 22°C Homo sapiens (R)-2-amino-4-methyl-N-(1-(naphthalen-1-yl)ethyl)-5-(3-(trifluoromethyl)phenyl)thiophene-3-carboxamide
0.0043
-
 pH 6.0, 22°C Homo sapiens 6-(4-chlorophenyl)-2-(3-methoxybenzyl)-5-methylthieno[2,3-d]-pyrimidin-4(1H)-one
0.0046
-
 pH 6.0, 22°C Homo sapiens 6-(benzo[d][1,3]dioxol-5-yl)-3-benzyl-5-methylthieno[2,3-d]-pyrimidine-2,4(1H,3H)-dione
0.0048
-
 pH 6.0, 22°C Homo sapiens 6-(4-chlorophenyl)-5-methyl-3-(4-(trifluoromethyl)benzyl)-thieno[2,3-d]pyrimidine-2,4(1H,3H)-dione

kcat/KM [mM/s]

kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
3.7
-
 4-hydroxyphenylpyruvate pH 6.2, 23°C Homo sapiens
4.3
-
 4-methoxyphenylpyruvate pH 6.2, 23°C Homo sapiens
32
-
 4-chlorophenylpyruvate pH 6.2, 23°C Homo sapiens
55
-
 phenylpyruvate pH 6.2, 23°C Homo sapiens