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Literature summary for 1.5.1.3 extracted from
- Design, synthesis, biological evaluation and computational investigation of novel inhibitors of dihydrofolate reductase of opportunistic pathogens (2010), Bioorg. Med. Chem., 18, 3187-3197.
Inhibitors
| Inhibitors | Comment | Organism | Structure |
|---|---|---|---|
| (2,4-diaminopyrimidin-5-yl)methyl naphthalene-2-sulfonate | - |
Mycobacterium avium |  |
| (2,4-diaminopyrimidin-5-yl)methyl naphthalene-2-sulfonate | - |
Pneumocystis carinii | |
| (2,4-diaminopyrimidin-5-yl)methyl naphthalene-2-sulfonate | - |
Rattus norvegicus | |
| (2,4-diaminopyrimidin-5-yl)methyl naphthalene-2-sulfonate | - |
Toxoplasma gondii | |
| 3-(2,4-diaminophenyl)-1-(3-(4-methylbenzyloxy)phenyl)prop-2-en-1-one | - |
Mycobacterium avium | |
| 3-(2,4-diaminophenyl)-1-(3-(4-methylbenzyloxy)phenyl)prop-2-en-1-one | - |
Pneumocystis carinii | |
| 3-(2,4-diaminophenyl)-1-(3-(4-methylbenzyloxy)phenyl)prop-2-en-1-one | - |
Rattus norvegicus | |
| 3-(2,4-diaminophenyl)-1-(3-(4-methylbenzyloxy)phenyl)prop-2-en-1-one | - |
Toxoplasma gondii | |
| 3-(2,4-diaminopyrimidin-5-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one | - |
Mycobacterium avium | |
| 3-(2,4-diaminopyrimidin-5-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one | - |
Pneumocystis carinii | |
| 3-(2,4-diaminopyrimidin-5-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one | - |
Rattus norvegicus | |
| 3-(2,4-diaminopyrimidin-5-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one | - |
Toxoplasma gondii | |
| 5-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-pyrimidine-2,4-diamine | - |
Mycobacterium avium | |
| 5-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-pyrimidine-2,4-diamine | - |
Pneumocystis carinii | |
| 5-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-pyrimidine-2,4-diamine | - |
Rattus norvegicus | |
| 5-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-pyrimidine-2,4-diamine | - |
Toxoplasma gondii | |
| 5-((4-methoxyphenylamino)methyl)pyrimidine-2,4-diamine | - |
Mycobacterium avium | |
| 5-((4-methoxyphenylamino)methyl)pyrimidine-2,4-diamine | - |
Pneumocystis carinii | |
| 5-((4-methoxyphenylamino)methyl)pyrimidine-2,4-diamine | - |
Rattus norvegicus | |
| 5-((4-methoxyphenylamino)methyl)pyrimidine-2,4-diamine | - |
Toxoplasma gondii | |
| 5-((5H-dibenzo[b,f]azepin-5-yl)methyl)pyrimidine-2,4-diamine | - |
Mycobacterium avium | |
| 5-((5H-dibenzo[b,f]azepin-5-yl)methyl)pyrimidine-2,4-diamine | - |
Pneumocystis carinii | |
| 5-((5H-dibenzo[b,f]azepin-5-yl)methyl)pyrimidine-2,4-diamine | - |
Rattus norvegicus | |
| 5-((5H-dibenzo[b,f]azepin-5-yl)methyl)pyrimidine-2,4-diamine | - |
Toxoplasma gondii | |
| 5-((benzo[d]oxazol-2-ylthio)methyl)pyrimidine-2,4-diamine | - |
Mycobacterium avium | |
| 5-((benzo[d]oxazol-2-ylthio)methyl)pyrimidine-2,4-diamine | - |
Pneumocystis carinii | |
| 5-((benzo[d]oxazol-2-ylthio)methyl)pyrimidine-2,4-diamine | - |
Rattus norvegicus | |
| 5-((benzo[d]oxazol-2-ylthio)methyl)pyrimidine-2,4-diamine | - |
Toxoplasma gondii | |
| 5-((methyl(naphthalen-1-yl)amino)methyl)pyrimidine-2,4-diamine | - |
Mycobacterium avium | |
| 5-((methyl(naphthalen-1-yl)amino)methyl)pyrimidine-2,4-diamine | - |
Pneumocystis carinii | |
| 5-((methyl(naphthalen-1-yl)amino)methyl)pyrimidine-2,4-diamine | - |
Rattus norvegicus | |
| 5-((methyl(naphthalen-1-yl)amino)methyl)pyrimidine-2,4-diamine | - |
Toxoplasma gondii | |
| 5-((naphthalen-1-ylamino)methyl)pyrimidine-2,4-diamine | - |
Mycobacterium avium | |
| 5-((naphthalen-1-ylamino)methyl)pyrimidine-2,4-diamine | - |
Pneumocystis carinii | |
| 5-((naphthalen-1-ylamino)methyl)pyrimidine-2,4-diamine | - |
Rattus norvegicus | |
| 5-((naphthalen-1-ylamino)methyl)pyrimidine-2,4-diamine | - |
Toxoplasma gondii | |
| 6-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Mycobacterium avium | |
| 6-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Pneumocystis carinii | |
| 6-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Rattus norvegicus | |
| 6-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Toxoplasma gondii | |
| 6-((10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Mycobacterium avium | |
| 6-((10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Pneumocystis carinii | |
| 6-((10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Rattus norvegicus | |
| 6-((10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Toxoplasma gondii | |
| 6-((2-chloro-10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Mycobacterium avium | |
| 6-((2-chloro-10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Pneumocystis carinii | |
| 6-((2-chloro-10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Rattus norvegicus | |
| 6-((2-chloro-10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | - |
Toxoplasma gondii | |
| 6-(2-(5H-dibenzo[b,f]azepin-5-yl)ethoxy)pyrimidine-2,4-diamine | - |
Mycobacterium avium | |
| 6-(2-(5H-dibenzo[b,f]azepin-5-yl)ethoxy)pyrimidine-2,4-diamine | - |
Pneumocystis carinii | |
| 6-(2-(5H-dibenzo[b,f]azepin-5-yl)ethoxy)pyrimidine-2,4-diamine | - |
Rattus norvegicus | |
| 6-(2-(5H-dibenzo[b,f]azepin-5-yl)ethoxy)pyrimidine-2,4-diamine | - |
Toxoplasma gondii | |
| 6-(3,4,5-trimethoxybenzyloxy)pyrimidine-2,4-diamine | - |
Mycobacterium avium | |
| 6-(3,4,5-trimethoxybenzyloxy)pyrimidine-2,4-diamine | - |
Pneumocystis carinii | |
| 6-(3,4,5-trimethoxybenzyloxy)pyrimidine-2,4-diamine | - |
Rattus norvegicus | |
| 6-(3,4,5-trimethoxybenzyloxy)pyrimidine-2,4-diamine | - |
Toxoplasma gondii | |
Organism
| Organism | UniProt | Comment | Textmining |
|---|---|---|---|
| Mycobacterium avium | - |
- |
- |
| Pneumocystis carinii | P16184 | - |
- |
| Rattus norvegicus | - |
- |
- |
| Toxoplasma gondii | - |
- |
- |
Source Tissue
| Source Tissue | Comment | Organism | Textmining |
|---|---|---|---|
| liver | - |
Rattus norvegicus | - |
Synonyms
| Synonyms | Comment | Organism |
|---|---|---|
| DHFR | - |
Rattus norvegicus |
| DHFR | - |
Mycobacterium avium |
| DHFR | - |
Toxoplasma gondii |
| DHFR | - |
Pneumocystis carinii |
| dihydrofolate reductase | - |
Rattus norvegicus |
| dihydrofolate reductase | - |
Mycobacterium avium |
| dihydrofolate reductase | - |
Toxoplasma gondii |
| dihydrofolate reductase | - |
Pneumocystis carinii |
Temperature Optimum [°C]
| Temperature Optimum [°C] | Temperature Optimum Maximum [°C] | Comment | Organism |
|---|---|---|---|
| 37 | - |
assay at | Rattus norvegicus |
| 37 | - |
assay at | Mycobacterium avium |
| 37 | - |
assay at | Toxoplasma gondii |
| 37 | - |
assay at | Pneumocystis carinii |
IC50 Value
| IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
|---|---|---|---|---|---|
| 0.00011 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 5-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-pyrimidine-2,4-diamine | |
| 0.00014 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 5-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-pyrimidine-2,4-diamine | |
| 0.00084 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 5-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-pyrimidine-2,4-diamine | |
| 0.00088 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 5-((methyl(naphthalen-1-yl)amino)methyl)pyrimidine-2,4-diamine | |
| 0.0016 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 5-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-pyrimidine-2,4-diamine | |
| 0.00233 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 6-(2-(5H-dibenzo[b,f]azepin-5-yl)ethoxy)pyrimidine-2,4-diamine | |
| 0.00335 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 6-(2-(5H-dibenzo[b,f]azepin-5-yl)ethoxy)pyrimidine-2,4-diamine | |
| 0.0034 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 5-((methyl(naphthalen-1-yl)amino)methyl)pyrimidine-2,4-diamine | |
| 0.006 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 5-((5H-dibenzo[b,f]azepin-5-yl)methyl)pyrimidine-2,4-diamine | |
| 0.0078 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | (2,4-diaminopyrimidin-5-yl)methyl naphthalene-2-sulfonate | |
| 0.008 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 5-((5H-dibenzo[b,f]azepin-5-yl)methyl)pyrimidine-2,4-diamine | |
| 0.011 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 3-(2,4-diaminophenyl)-1-(3-(4-methylbenzyloxy)phenyl)prop-2-en-1-one | |
| 0.011 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 3-(2,4-diaminophenyl)-1-(3-(4-methylbenzyloxy)phenyl)prop-2-en-1-one | |
| 0.022 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 5-((naphthalen-1-ylamino)methyl)pyrimidine-2,4-diamine | |
| 0.023 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 5-((benzo[d]oxazol-2-ylthio)methyl)pyrimidine-2,4-diamine | |
| 0.026 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 5-((5H-dibenzo[b,f]azepin-5-yl)methyl)pyrimidine-2,4-diamine | |
| 0.035 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 5-((benzo[d]oxazol-2-ylthio)methyl)pyrimidine-2,4-diamine | |
| 0.038 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 5-((methyl(naphthalen-1-yl)amino)methyl)pyrimidine-2,4-diamine | |
| 0.044 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 5-((4-methoxyphenylamino)methyl)pyrimidine-2,4-diamine | |
| 0.044 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 5-((4-methoxyphenylamino)methyl)pyrimidine-2,4-diamine | |
| 0.044 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 5-((4-methoxyphenylamino)methyl)pyrimidine-2,4-diamine | |
| 0.079 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 5-((naphthalen-1-ylamino)methyl)pyrimidine-2,4-diamine | |
| 0.112 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 6-(2-(5H-dibenzo[b,f]azepin-5-yl)ethoxy)pyrimidine-2,4-diamine | |
| 0.116 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 3-(2,4-diaminophenyl)-1-(3-(4-methylbenzyloxy)phenyl)prop-2-en-1-one | |
| 0.117 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 6-((2-chloro-10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.117 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 6-((2-chloro-10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.119 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 6-(3,4,5-trimethoxybenzyloxy)pyrimidine-2,4-diamine | |
| 0.124 | - |
37°C, pH not specified in the publication | Rattus norvegicus | (2,4-diaminopyrimidin-5-yl)methyl naphthalene-2-sulfonate | |
| 0.124 | - |
37°C, pH not specified in the publication | Mycobacterium avium | (2,4-diaminopyrimidin-5-yl)methyl naphthalene-2-sulfonate | |
| 0.124 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | (2,4-diaminopyrimidin-5-yl)methyl naphthalene-2-sulfonate | |
| 0.127 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 5-((naphthalen-1-ylamino)methyl)pyrimidine-2,4-diamine | |
| 0.127 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 3-(2,4-diaminopyrimidin-5-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one | |
| 0.13 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 5-((5H-dibenzo[b,f]azepin-5-yl)methyl)pyrimidine-2,4-diamine | |
| 0.138 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 6-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.139 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 6-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.139 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 6-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.142 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 6-((10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.142 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 6-((10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.142 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 6-((10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.145 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 6-(3,4,5-trimethoxybenzyloxy)pyrimidine-2,4-diamine | |
| 0.145 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 6-(3,4,5-trimethoxybenzyloxy)pyrimidine-2,4-diamine | |
| 0.148 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 6-(3,4,5-trimethoxybenzyloxy)pyrimidine-2,4-diamine | |
| 0.15 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 5-((naphthalen-1-ylamino)methyl)pyrimidine-2,4-diamine | |
| 0.151 | - |
37°C, pH not specified in the publication | Mycobacterium avium | 3-(2,4-diaminopyrimidin-5-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one | |
| 0.151 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 3-(2,4-diaminopyrimidin-5-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one | |
| 0.151 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 3-(2,4-diaminopyrimidin-5-yl)-1-(4-methoxyphenyl)-prop-2-en-1-one | |
| 0.16 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 5-((benzo[d]oxazol-2-ylthio)methyl)pyrimidine-2,4-diamine | |
| 0.178 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 3-(2,4-diaminophenyl)-1-(3-(4-methylbenzyloxy)phenyl)prop-2-en-1-one | |
| 0.18 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 6-(2-(5H-dibenzo[b,f]azepin-5-yl)ethoxy)pyrimidine-2,4-diamine | |
| 0.184 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 5-((methyl(naphthalen-1-yl)amino)methyl)pyrimidine-2,4-diamine | |
| 0.235 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 6-((10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.363 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 5-((4-methoxyphenylamino)methyl)pyrimidine-2,4-diamine | |
| 0.397 | - |
37°C, pH not specified in the publication | Toxoplasma gondii | 6-((2-chloro-10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 0.52 | - |
37°C, pH not specified in the publication | Rattus norvegicus | 5-((benzo[d]oxazol-2-ylthio)methyl)pyrimidine-2,4-diamine | |
| 0.603 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 6-((2-chloro-10H-phenothiazin-10-yl)methyl)-1,3,5-triazine-2,4-diamine | |
| 1.265 | - |
37°C, pH not specified in the publication | Pneumocystis carinii | 6-((10,11-dihydro-5H-dibenzo[b,f]azepin-5-yl)methyl)-1,3,5-triazine-2,4-diamine | |
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