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Literature summary for 4.6.1.12 extracted from

  • Baumgartner, C.; Eberle, C.; Diederich, F.; Lauw, S.; Rohdich, F.; Eisenreich, W.; Bacher, A.
    Structure-based design and synthesis of the first weak non-phosphate inhibitors for IspF, an enzyme in the non-mevalonate pathway of isoprenoid biosynthesis (2007), Helv. Chim. Acta, 90, 1043-1068.
No PubMed abstract available

Crystallization (Commentary)

Crystallization (Comment) Organism
computational model of binding of inhibitor N-[4-[(6-aminopyridin-3-yl)amino]-3-methylbenzyl]-4-(trifluoromethyl)benzamide in the active site Escherichia coli

Inhibitors

Inhibitors Comment Organism Structure
N-([4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1-naphthyl]methyl)-4-chlorobenzamide 1 mM, 52% inhibition Escherichia coli
N-([4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1-naphthyl]methyl)benzamide 1 mM, 59% inhibition Escherichia coli
N-[4-[(6-aminopyridin-3-yl)amino]-3-methylbenzyl]-4-(trifluoromethyl)benzamide 1 mM, 60% inhibition Escherichia coli

Organism

Organism UniProt Comment Textmining
Escherichia coli P62617
-
-

IC50 Value

IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
0.45
-
-
Escherichia coli N-([4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1-naphthyl]methyl)benzamide
0.49
-
-
Escherichia coli N-[4-[(6-aminopyridin-3-yl)amino]-3-methylbenzyl]-4-(trifluoromethyl)benzamide
0.54
-
-
Escherichia coli N-([4-[(4-amino-2-oxopyrimidin-1(2H)-yl)methyl]-1-naphthyl]methyl)-4-chlorobenzamide