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Literature summary extracted from

  • da Cunha, E.F.; Ramalho, T.C.; Reynolds, R.C.
    Binding mode analysis of 2,4-diamino-5-methyl-5-deaza-6-substituted pteridines with Mycobacterium tuberculosis and human dihydrofolate reductases (2008), J. Biomol. Struct. Dyn., 25, 377-385.
    View publication on PubMed

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
1.5.1.3 binding mode analysis and docking approaches of inhibitors, and comparison between human and Mycobacterium tuberculosis enzyme. Presence of empty spaces around the 2,4-diamonodeazapteridine and N10-phenyl rings of inhibitors in the Mycobacterium tuberculosis enzyme active site that are not found in the human structures Mycobacterium tuberculosis

Inhibitors

EC Number Inhibitors Comment Organism Structure
1.5.1.3 3-([(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]amino)-4-(2,5-dimethoxyethoxy)phenol ratio of IC50 of human to Mycobacterium tuberculosis enzyme 7.6 Mycobacterium tuberculosis
1.5.1.3 6-([(2,5-dipropoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ratio of IC50 of human to Mycobacterium tuberculosis enzyme 65 Mycobacterium tuberculosis
1.5.1.3 6-([(2-butoxy-5-ethoxyoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ratio of IC50 of human to Mycobacterium tuberculosis enzyme 2.8 Mycobacterium tuberculosis
1.5.1.3 6-([(2-butoxy-5-propoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ratio of IC50 of human to Mycobacterium tuberculosis enzyme 19 Mycobacterium tuberculosis
1.5.1.3 6-([(2-ethoxy-5-butoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine ratio of IC50 of human to Mycobacterium tuberculosis enzyme 4.1 Mycobacterium tuberculosis

Organism

EC Number Organism UniProt Comment Textmining
1.5.1.3 Mycobacterium tuberculosis
-
-
-

IC50 Value

EC Number IC50 Value IC50 Value Maximum Comment Organism Inhibitor Structure
1.5.1.3 0.000009
-
-
 Mycobacterium tuberculosis 6-([(2-butoxy-5-ethoxyoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
1.5.1.3 0.000023
-
-
 Mycobacterium tuberculosis 6-([(2,5-dipropoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
1.5.1.3 0.000023
-
-
 Mycobacterium tuberculosis 6-([(2-ethoxy-5-butoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
1.5.1.3 0.000028
-
-
 Mycobacterium tuberculosis 6-([(2-butoxy-5-propoxyphenyl)amino]methyl)-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine
1.5.1.3 0.00021
-
-
 Mycobacterium tuberculosis 3-([(2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl)methyl]amino)-4-(2,5-dimethoxyethoxy)phenol