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Literature summary for 1.2.1.104 extracted from

  • Feng, J.; He, H.; Zhou, Y.; Cai, M.; Peng, H.; Liu, H.; Liu, L.; Feng, L.; He, H.
    Structure optimization and bioactivity evaluation of ThDP analogs targeting cyanobacterial pyruvate dehydrogenase E1 (2019), Bioorg. Med. Chem., 27, 115159 .
    View publication on PubMed
Search for more literature for 1.2.1.104

Crystallization (Commentary)

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

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 thiamin 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 thiamin 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 thiamin 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 thiamin 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 thiamin 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 thiamin 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 thiamin 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 thiamin 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 thiamin 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 [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

Organism UniProt Comment Textmining
Synechocystis sp. PCC 6803 P74490 and P73405 P74490 i.e. subunit PdhA, P73405 i.e. subunit PdhB, cf. EC 1.2.4.1
-

Substrates and Products (Substrate)

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 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