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