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Literature summary for 3.1.4.1 extracted from

  • Khan, K.M.; Fatima, N.; Rasheed, M.; Jalil, S.; Ambreen, N.; Perveen, S.; Choudhary, M.I.
    1,3,4-Oxadiazole-2(3H)-thione and its analogues: a new class of non-competitive nucleotide pyrophosphatases/phosphodiesterases 1 inhibitors (2009), Bioorg. Med. Chem., 17, 7816-7822.
    View publication on PubMed

Inhibitors

Inhibitors Comment Organism Structure
5-[3-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
-
Bothrops atrox
5-[3-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
-
Homo sapiens
5-[3-hydroxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
-
Bothrops atrox
5-[4-(t-butyldimethylsilyloxy)-phenyl]-1,3,4-oxadiazole-2(3H)-thione
-
Bothrops atrox
5-[4-(t-butyldimethylsilyloxy)-phenyl]-1,3,4-oxadiazole-2(3H)-thione
-
Homo sapiens
5-[4-(t-butyldimethylsilyloxy)-phenyl]-1,3,4-thiadiazole-2(3H)-thione
-
Bothrops atrox
5-[4-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
-
Bothrops atrox
5-[4-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
-
Homo sapiens
5-[4-benzyloxyphenyl]-3-octyl-1,3,4-oxadiazole-2(3H)-thione
-
Bothrops atrox
5-[4-hydroxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
-
Bothrops atrox
5-[4-hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione
-
Bothrops atrox
5-[4-hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione
-
Homo sapiens
5-[4-pyridyl]-1,3,4-oxadiazole-2(3H)-thione
-
Bothrops atrox
5-[4-pyridyl]-1,3,4-thiadiazole-2(3H)-thione
-
Bothrops atrox
5-[4-pyridyl]-1,3,4-thiadiazole-2(3H)-thione
-
Homo sapiens
bis(1,3,4-oxadiazol-2-methyl)-5-thione
-
Bothrops atrox
bis(1,3,4-oxadiazol-2-propyl)-5-thione
-
Bothrops atrox
bis(1,3,4-oxadiazol-2-propyl)-5-thione
-
Homo sapiens
bis(1,3,4-thiadiazole-2-methyl)-5-thione
-
Bothrops atrox
EDTA
-
Bothrops atrox
EDTA
-
Homo sapiens
L-cysteine
-
Bothrops atrox
L-cysteine
-
Homo sapiens
additional information the enzyme is not inhibited by 5-[4-pyridyl]-1,3,4-oxadiazole-2(3H)-thione, 5-[3-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione, 5-[4-benzyloxyphenyl]-3-octyl-1,3,4-oxadiazole-2(3H)-thione, 5-[4-benzyloxyphenyl]-3-benzyl-1,3,4-oxadiazole-2(3H)-thione, 5-[4-benzyloxyphenyl]-3-pentyl-1,3,4-oxadiazole-2(3H)-thione, 5-cyclohexyl-1,3,4-oxadiazole-2(3H)-thione, 5-diphenylmethyl-1,3,4-oxadiazole-2(3H)-thione, 5-[4-benzyloxyphenyl]-3-benzoyl-1,3,4-oxadiazole-2(3H)-thione, 5-[4-benzyloxyphenyl]-3-(2-hydroxyethyl)-1,3,4-oxadiazole-2(3H)-thione, 5-[1-naphthyl]-1,3,4-oxadiazole-2(3H)-thione, 5-phenyl-1,3,4-thiadiazole-2(3H)-thione, 5-[4-hydroxyphenyl]-3-benzyl-1,3,4-thiadiazole-2(3H)-thione, 5-[4-propoxyphenyl]-3-propyl-1,3,4-thiadiazole-2(3H)-thione, 5-diphenylmethyl-1,3,4-thiadiazole-2(3H)-thionr, 5-[4-hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione, and 5-[4-benzyloxyphenyl]-3-benzyl-1,3,4-thiaadiazole-2(3H)-thione Bothrops atrox
additional information the enzyme is not inhibited by bis(1,3,4-oxadiazol-2-methyl)-5-thione, 5-[4-pyridyl]-1,3,4-oxadiazole-2(3H)-thione, 5-[3-hydroxyphenyl]-1,3,4-oxadiazole-2(3H)-thione, 5-[4-benzyloxyphenyl]-3-octyl-1,3,4-oxadiazole-2(3H)-thione, and 5-[4-(t-butyldimethylsilyloxy)-phenyl]-1,3,4-thiadiazole-2 (3H)-thione Homo sapiens

Organism

Organism UniProt Comment Textmining
Bothrops atrox
-
-
-
Homo sapiens
-
-
-

Source Tissue

Source Tissue Comment Organism Textmining
venom
-
Bothrops atrox
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
4-nitrophenyl phenyl phosphonate + H2O
-
Homo sapiens 4-nitrophenol + phenyl phosphonate
-
?
bis(4-nitrophenyl) phosphate + H2O
-
Bothrops atrox 4-nitrophenyl phosphate + 4-nitrophenol
-
?

Synonyms

Synonyms Comment Organism
NPP1
-
Homo sapiens
NPP1
-
Bothrops atrox
nucleotide pyrophosphatase/phosphodiesterase 1
-
Homo sapiens
nucleotide pyrophosphatase/phosphodiesterase 1
-
Bothrops atrox
PC-1
-
Homo sapiens
PC-1
-
Bothrops atrox
phosphodiesterase 1
-
Homo sapiens
phosphodiesterase 1
-
Bothrops atrox
plasma cell membrane glycoprotein
-
Homo sapiens
plasma cell membrane glycoprotein
-
Bothrops atrox

Ki Value [mM]

Ki Value [mM] Ki Value maximum [mM] Inhibitor Comment Organism Structure
0.15
-
bis(1,3,4-oxadiazol-2-propyl)-5-thione in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens
0.36
-
5-[4-(t-butyldimethylsilyloxy)-phenyl]-1,3,4-oxadiazole-2(3H)-thione in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens
0.36
-
5-[3-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens
0.85
-
5-[4-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens
0.85
-
5-[4-hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.06647
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox 5-[4-(t-butyldimethylsilyloxy)-phenyl]-1,3,4-thiadiazole-2(3H)-thione
0.274
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox EDTA
0.368
-
in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens 5-[4-(t-butyldimethylsilyloxy)-phenyl]-1,3,4-oxadiazole-2(3H)-thione
0.368
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox 5-[4-(t-butyldimethylsilyloxy)-phenyl]-1,3,4-oxadiazole-2(3H)-thione
0.39
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox 5-[4-hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione
0.429
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox bis(1,3,4-oxadiazol-2-propyl)-5-thione
0.467
-
in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens bis(1,3,4-oxadiazol-2-propyl)-5-thione
0.494
-
in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens 5-[3-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
0.628
-
in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens 5-[4-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
0.66
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox 5-[4-pyridyl]-1,3,4-thiadiazole-2(3H)-thione
0.748
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox L-cysteine
0.839
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox bis(1,3,4-thiadiazole-2-methyl)-5-thione
0.85
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox bis(1,3,4-oxadiazol-2-methyl)-5-thione
0.9
-
in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens 5-[4-hydroxyphenyl]-1,3,4-thiadiazole-2(3H)-thione
0.9
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox 5-[4-benzyloxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
0.96
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox 5-[4-hydroxyphenyl]-1,3,4-oxadiazole-2(3H)-thione
0.998
-
in 20 mM Tris-HCl, pH 8.0, 0.5 M NaCl and 1 mM CaCl2, at 37°C Homo sapiens 5-[4-pyridyl]-1,3,4-thiadiazole-2(3H)-thione
1
-
in Tris-HCl buffer 33 mM pH 8.8, at 37°C Bothrops atrox 5-[3-hydroxyphenyl]-1,3,4-oxadiazole-2(3H)-thione