Crystallization (Comment) | Organism |
---|---|
homology modeling and docking of inhibitor N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-nitrobenzenesulfonamide. The compound can inhibit PDH subunit E1 by occupying the thiamin diphosphate-binding pocket and then blocking PDH E1 bound to thiamin diphosphate as competitive inhibitor | Synechocystis sp. PCC 6803 |
Inhibitors | Comment | Organism | Structure |
---|---|---|---|
CuSO4 | EC50 value against Synechocystis sp. PCC 6803 is 0.002 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl) methyl)-2,4,6-trimethylbenzenesulfonamide | thiamim diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.0043 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl) methyl)-2-nitrobenzenesulfonamide | thiamim diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.0063 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl) methyl)-4-bromobenzenesulfonamide | thiamin diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.009 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl) methyl)-4-chlorobenzenesulfonamide | thiamim diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.0018 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-2,4,6-trimethylbenzenesulfonamide | thiamim diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.002 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-bromobenzenesulfonamide | thiamim diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.002 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-fluorobenzenesulfonamide | thiamim diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.0017 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-methoxybenzenesulfonamide | thiamim diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.0027 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-methylbenzenesulfonamide | thiamim diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.002 mM | Synechocystis sp. PCC 6803 | |
N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-nitrobenzenesulfonamide | thiamim diphosphate analogue, EC50 value against Synechocystis sp. PCC 6803 is 0.0016 mM, EC50 value against Microcystis aeruginosa FACHB905 is 0.0001 mM | Synechocystis sp. PCC 6803 |
KM Value [mM] | KM Value Maximum [mM] | Substrate | Comment | Organism | Structure |
---|---|---|---|---|---|
0.0124 | - |
pyruvate | pH 7.2, 37°C | Synechocystis sp. PCC 6803 | |
0.056 | - |
pyruvate | presence of 0.002 mM inhibitor N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-nitrobenzenesulfonamide, pH 7.2, 37°C | Synechocystis sp. PCC 6803 |
Organism | UniProt | Comment | Textmining |
---|---|---|---|
Synechocystis sp. PCC 6803 | P74490 and P73405 | P74490 i.e. subunit PdhA, P73405 i.e. subunit PdhB | - |
Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|
pyruvate + [dihydrolipoyllysine-residue acetyltransferase] lipoyllysine | - |
Synechocystis sp. PCC 6803 | [dihydrolipoyllysine-residue acetyltransferase] S-acetyldihydrolipoyllysine + CO2 | - |
? |
IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|
0.0035 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-nitrobenzenesulfonamide | |
0.0037 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-methoxybenzenesulfonamide | |
0.0046 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl) methyl)-2-nitrobenzenesulfonamide | |
0.0068 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-2,4,6-trimethylbenzenesulfonamide | |
0.0071 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl) methyl)-4-chlorobenzenesulfonamide | |
0.0078 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-bromobenzenesulfonamide | |
0.0086 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-fluorobenzenesulfonamide | |
0.0088 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl) methyl)-4-bromobenzenesulfonamide | |
0.0094 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-1H-1,2,3-triazol-4-yl) methyl)-2,4,6-trimethylbenzenesulfonamide | |
0.0096 | - |
pH 7.2, 37°C | Synechocystis sp. PCC 6803 | N-((1-((4-amino-2-methylpyrimidin-5-yl)methyl)-5-iodo-1H-1,2,3-triazol-4-yl)methyl)-4-methylbenzenesulfonamide |