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Literature summary extracted from

  • Uddin, I.; Taha, M.; Rahim, F.; Wadood, A.
    Synthesis and molecular docking study of piperazine derivatives as potent inhibitor of thymidine phosphorylase (2018), Bioorg. Chem., 78, 324-331 .
    View publication on PubMed

Inhibitors

EC Number Inhibitors Comment Organism Structure
2.4.2.4 4-(2,5-difluorobenzyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(3-fluorophenyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(4-(trifluoromethyl)phenyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(m-tolyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(o-tolyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 4-(2,5-difluorobenzyl)-N-(p-tolyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 7-deazaxanthine
-
Escherichia coli
2.4.2.4 additional information synthesis and molecular docking study of piperazine derivatives as potent inhibitor of thymidine phosphorylase, overview Escherichia coli
2.4.2.4 N-(2-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 N-(2-chlorophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 N-(3,4-dichlorophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 N-(3-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 N-(4-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
-
Escherichia coli
2.4.2.4 N-(adamantan-1-yl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
-
Escherichia coli

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
2.4.2.4 thymine + 2-deoxy-alpha-D-ribose 1-phosphate Escherichia coli
-
thymidine + phosphate
-
r

Organism

EC Number Organism UniProt Comment Textmining
2.4.2.4 Escherichia coli P0C037
-
-

Source Tissue

EC Number Source Tissue Comment Organism Textmining
2.4.2.4 commercial preparation
-
Escherichia coli
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
2.4.2.4 thymine + 2-deoxy-alpha-D-ribose 1-phosphate
-
Escherichia coli thymidine + phosphate
-
r

Temperature Optimum [°C]

EC Number Temperature Optimum [°C] Temperature Optimum Maximum [°C] Comment Organism
2.4.2.4 25
-
assay at Escherichia coli

pH Optimum

EC Number pH Optimum Minimum pH Optimum Maximum Comment Organism
2.4.2.4 7.4
-
assay at Escherichia coli

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
2.4.2.4 0.0011
-
pH 7.4, 25°C Escherichia coli N-(2-chlorophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
2.4.2.4 0.0012
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(3-fluorophenyl)piperazine-1-carbothioamide
2.4.2.4 0.0016
-
pH 7.4, 25°C Escherichia coli N-(3,4-dichlorophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
2.4.2.4 0.002
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(4-(trifluoromethyl)phenyl)piperazine-1-carbothioamide
2.4.2.4 0.0025
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(2-methoxyphenyl)piperazine-1-carbothioamide
2.4.2.4 0.003
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(2-fluorophenyl)piperazine-1-carbothioamide
2.4.2.4 0.0081
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(4-nitrophenyl)piperazine-1-carbothioamide
2.4.2.4 0.0116
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(4-methoxyphenyl)piperazine-1-carbothioamide
2.4.2.4 0.0122
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(3-methoxyphenyl)piperazine-1-carbothioamide
2.4.2.4 0.0143
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(o-tolyl)piperazine-1-carbothioamide
2.4.2.4 0.0146
-
pH 7.4, 25°C Escherichia coli N-(3-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
2.4.2.4 0.0173
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(p-tolyl)piperazine-1-carbothioamide
2.4.2.4 0.0191
-
pH 7.4, 25°C Escherichia coli N-(2-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
2.4.2.4 0.0223
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(m-tolyl)piperazine-1-carbothioamide
2.4.2.4 0.0246
-
pH 7.4, 25°C Escherichia coli N-(4-bromophenyl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
2.4.2.4 0.0323
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(3-nitrophenyl)piperazine-1-carbothioamide
2.4.2.4 0.03868
-
pH 7.4, 25°C Escherichia coli 7-deazaxanthine
2.4.2.4 0.0422
-
pH 7.4, 25°C Escherichia coli N-(adamantan-1-yl)-4-(2,5-difluorobenzyl)piperazine-1-carbothioamide
2.4.2.4 0.6
-
pH 7.4, 25°C Escherichia coli 4-(2,5-difluorobenzyl)-N-(4-fluorophenyl)piperazine-1-carbothioamide