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Literature summary extracted from

  • Lv, W.; Banerjee, B.; Molland, K.L.; Seleem, M.N.; Ghafoor, A.; Hamed, M.I.; Wan, B.; Franzblau, S.G.; Mesecar, A.D.; Cushman, M.
    Synthesis of 3-(3-aryl-pyrrolidin-1-yl)-5-aryl-1,2,4-triazines that have antibacterial activity and also inhibit inorganic pyrophosphatase (2014), Bioorg. Med. Chem., 22, 406-418.
    View publication on PubMedView publication on EuropePMC

Inhibitors

EC Number Inhibitors Comment Organism Structure
3.6.1.1 3-(3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-1,2,4-triazin-5-yl)aniline
-
 Mycobacterium tuberculosis
3.6.1.1 3-(3-(3-(benzyloxy)phenyl)pyrrolidin-1-yl)-5-(5-methylfuran-2-yl)-1,2,4-triazine
-
 Mycobacterium tuberculosis
3.6.1.1 3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-5-(3,4-dimethoxyphenyl)-1,2,4-triazine
-
 Mycobacterium tuberculosis
3.6.1.1 3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-5-(3-nitrophenyl)-1,2,4-triazine
-
 Mycobacterium tuberculosis
3.6.1.1 3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-5-(5-(2-(trifluoromethyl)phenyl)furan-2-yl)-1,2,4-triazine
-
 Mycobacterium tuberculosis
3.6.1.1 3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-5-phenyl-1,2,4-triazine
-
 Mycobacterium tuberculosis
3.6.1.1 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-5-(5-methylfuran-2-yl)-1,2,4-triazine
-
 Mycobacterium tuberculosis
3.6.1.1 4-(3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-1,2,4-triazin-5-yl)aniline
-
 Mycobacterium tuberculosis
3.6.1.1 5-(4-bromophenyl)-3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-1,2,4-triazine
-
 Mycobacterium tuberculosis
3.6.1.1 5-(5-methylfuran-2-yl)-3-(3-(3-(trifluoromethyl)phenyl)pyrrolidin-1-yl)-1,2,4-triazine
-
 Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

EC Number Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
3.6.1.1 diphosphate + H2O Mycobacterium tuberculosis
-
 2 phosphate
-
 ?
3.6.1.1 diphosphate + H2O Mycobacterium tuberculosis H37Rv
-
 2 phosphate
-
 ?

Organism

EC Number Organism UniProt Comment Textmining
3.6.1.1 Mycobacterium tuberculosis P9WI55
-
-
3.6.1.1 Mycobacterium tuberculosis H37Rv P9WI55
-
-

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
3.6.1.1 diphosphate + H2O
-
 Mycobacterium tuberculosis 2 phosphate
-
 ?
3.6.1.1 diphosphate + H2O
-
 Mycobacterium tuberculosis H37Rv 2 phosphate
-
 ?

Synonyms

EC Number Synonyms Comment Organism
3.6.1.1 inorganic pyrophosphatase
-
 Mycobacterium tuberculosis
3.6.1.1 PPase
-
 Mycobacterium tuberculosis

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
3.6.1.1 0.0333
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 5-(4-bromophenyl)-3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-1,2,4-triazine
3.6.1.1 0.0383
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-5-(5-(2-(trifluoromethyl)phenyl)furan-2-yl)-1,2,4-triazine
3.6.1.1 0.0532
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-5-(3,4-dimethoxyphenyl)-1,2,4-triazine
3.6.1.1 0.0574
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 3-(3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-1,2,4-triazin-5-yl)aniline
3.6.1.1 0.0632
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 3-(3-(3-(benzyloxy)phenyl)pyrrolidin-1-yl)-5-(5-methylfuran-2-yl)-1,2,4-triazine
3.6.1.1 0.0881
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 4-(3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-1,2,4-triazin-5-yl)aniline
3.6.1.1 0.1015
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-5-phenyl-1,2,4-triazine
3.6.1.1 0.1182
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 3-(3-(3-chlorophenyl)pyrrolidin-1-yl)-5-(3-nitrophenyl)-1,2,4-triazine
3.6.1.1 0.1475
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 3-[3-(3-chlorophenyl)pyrrolidin-1-yl]-5-(5-methylfuran-2-yl)-1,2,4-triazine
3.6.1.1 0.3545
-
 at pH 7.5 and 37°C Mycobacterium tuberculosis 5-(5-methylfuran-2-yl)-3-(3-(3-(trifluoromethyl)phenyl)pyrrolidin-1-yl)-1,2,4-triazine