Literature summary for 1.2.1.104 extracted from

Feng, J.; He, H.; Zhou, Y.; Guo, X.; Liu, H.; Cai, M.; Wang, F.; Feng, L.; He, H.
Design, synthesis and biological evaluation of novel inhibitors against cyanobacterial pyruvate dehydrogenase multienzyme complex E1 (2019), Bioorg. Med. Chem., 27, 2413-2420 .

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Inhibitors

Inhibitors	Comment	Organism	Structure
[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl 3-chlorobenzoate	-	Synechocystis sp. PCC 6803
[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl 4-chlorobenzoate	compound shows inhibitory selectivity between Synechocystis sp. pyruvate dehydrogenase complex E1 (inhibitory rate 98.90%) and porcine pyruvate dehydrogenase complex E1 (inhibitory rate 9.54%)	Synechocystis sp. PCC 6803
[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl 4-fluorobenzoate	-	Synechocystis sp. PCC 6803
[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl 4-nitrobenzoate	-	Synechocystis sp. PCC 6803

Organism

Organism	UniProt	Comment	Textmining
Synechocystis sp. PCC 6803	P74490 and P73405	P74490 i.e. E1 component subunit alpha, P73405 i.e. E1 component subunit beta, cf. EC 1.2.4.1	-

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor	Structure
0.00148	-	isolated E1 component, pH 7.2, 37°C	Synechocystis sp. PCC 6803	[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl 4-chlorobenzoate
0.00161	-	isolated E1 component, pH 7.2, 37°C	Synechocystis sp. PCC 6803	[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl 4-fluorobenzoate
0.00169	-	isolated E1 component, pH 7.2, 37°C	Synechocystis sp. PCC 6803	[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl 4-nitrobenzoate
0.00179	-	isolated E1 component, pH 7.2, 37°C	Synechocystis sp. PCC 6803	[1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-iodo-4,5-dihydro-1H-1,2,3-triazol-4-yl]methyl 3-chlorobenzoate

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Release 2023.1 (January 2023)