EC Number | Application | Comment | Organism |
---|---|---|---|
1.5.1.3 | drug development | the essential enzyme is a target for development of specific inhibitors | [Candida] glabrata |
EC Number | Crystallization (Comment) | Organism |
---|---|---|
1.5.1.3 | purified recombinant enzyme, hanging drop vapor diffusion method, 13 mg/ml protein in 20 mM Tris pH 8.0, 20% glycerol, 0.1 mM EDTA and 2 mM DTT, incubation with 1.5 mM NADPH, mixing with an equal volume of crystallization solution containing 0.1 M Tris, pH 8.5, 35-40% PEG 4000 and 0.3-0.4 M MgCl2, X-ray diffraction structure determination and analysis at 1.95-2.11 A resolution | [Candida] glabrata |
EC Number | Inhibitors | Comment | Organism | Structure |
---|---|---|---|---|
1.5.1.3 | 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)-3-methylbut-1-ynyl]-6-methylpyrimidine | - |
[Candida] glabrata | |
1.5.1.3 | 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)-3-methylbut-1-ynyl]-6-methylpyrimidine | - |
Homo sapiens | |
1.5.1.3 | 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]-6-methylpyrimidine | - |
[Candida] glabrata | |
1.5.1.3 | 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]-6-methylpyrimidine | - |
Homo sapiens | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
[Candida] glabrata | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
Homo sapiens | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(2-methylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
[Candida] glabrata | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(2-methylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
Homo sapiens | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
[Candida] glabrata | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
Homo sapiens | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(4-methoxyphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
[Candida] glabrata | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(4-methoxyphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
Homo sapiens | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(4-tertbutylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
[Candida] glabrata | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(4-tertbutylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
Homo sapiens | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(6-methylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
[Candida] glabrata | |
1.5.1.3 | 2,4-diamino-5-[3-(3-methoxy-5-(6-methylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | - |
Homo sapiens | |
1.5.1.3 | 3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol | - |
[Candida] glabrata | |
1.5.1.3 | 3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol | - |
Homo sapiens | |
1.5.1.3 | 5-[3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | - |
[Candida] glabrata | |
1.5.1.3 | 5-[3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | - |
Homo sapiens | |
1.5.1.3 | 5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | - |
[Candida] glabrata | |
1.5.1.3 | 5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | - |
Homo sapiens | |
1.5.1.3 | 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine | - |
[Candida] glabrata | |
1.5.1.3 | 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine | - |
Homo sapiens | |
1.5.1.3 | 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine | - |
[Candida] glabrata | |
1.5.1.3 | 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine | - |
Homo sapiens | |
1.5.1.3 | additional information | inhibitor design, structure-activity relationships of the antifolates: methyl groups at the meta and para positions of the distal phenyl ring achieve the greatest number of interactions with the pathogenic enzyme and the greatest degree of selectivity over the human enzyme, antifungal activity can be tuned with substitution patterns at the propargyl and para-phenyl positions, overview | [Candida] glabrata |
EC Number | Natural Substrates | Organism | Comment (Nat. Sub.) | Natural Products | Comment (Nat. Pro.) | Rev. | Reac. |
---|---|---|---|---|---|---|---|
1.5.1.3 | 7,8-dihydrofolate + NADPH + H+ | Homo sapiens | - |
5,6,7,8-tetrahydrofolate + NADP+ | - |
? | |
1.5.1.3 | 7,8-dihydrofolate + NADPH + H+ | [Candida] glabrata | - |
5,6,7,8-tetrahydrofolate + NADP+ | - |
? |
EC Number | Organism | UniProt | Comment | Textmining |
---|---|---|---|---|
1.5.1.3 | Homo sapiens | - |
- |
- |
1.5.1.3 | [Candida] glabrata | Q6FPH0 | - |
- |
EC Number | Substrates | Comment Substrates | Organism | Products | Comment (Products) | Rev. | Reac. |
---|---|---|---|---|---|---|---|
1.5.1.3 | 7,8-dihydrofolate + NADPH + H+ | - |
Homo sapiens | 5,6,7,8-tetrahydrofolate + NADP+ | - |
? | |
1.5.1.3 | 7,8-dihydrofolate + NADPH + H+ | - |
[Candida] glabrata | 5,6,7,8-tetrahydrofolate + NADP+ | - |
? |
EC Number | Synonyms | Comment | Organism |
---|---|---|---|
1.5.1.3 | DHFR | - |
Homo sapiens |
1.5.1.3 | DHFR | - |
[Candida] glabrata |
EC Number | Cofactor | Comment | Organism | Structure |
---|---|---|---|---|
1.5.1.3 | NADPH | - |
Homo sapiens | |
1.5.1.3 | NADPH | - |
[Candida] glabrata |
EC Number | IC50 Value | IC50 Value Maximum | Comment | Organism | Inhibitor | Structure |
---|---|---|---|---|---|---|
1.5.1.3 | 0.00000055 | - |
- |
[Candida] glabrata | 2,4-diamino-5-[3-(3-methoxy-5-(2-methylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.00000061 | - |
- |
[Candida] glabrata | 2,4-diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.0000055 | - |
- |
[Candida] glabrata | 2,4-diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.0000064 | - |
- |
[Candida] glabrata | 2,4-diamino-5-[3-(3-methoxy-5-(4-methoxyphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.0000073 | - |
- |
[Candida] glabrata | 5-[3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | |
1.5.1.3 | 0.0000073 | - |
- |
[Candida] glabrata | 2,4-diamino-5-[3-(3-methoxy-5-(6-methylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.00001 | - |
- |
[Candida] glabrata | 2,4-diamino-5-[3-(3-methoxy-5-(4-tertbutylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.000011 | - |
- |
[Candida] glabrata | 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.000017 | - |
- |
[Candida] glabrata | 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine | |
1.5.1.3 | 0.000025 | - |
- |
[Candida] glabrata | 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine | |
1.5.1.3 | 0.000027 | - |
- |
[Candida] glabrata | 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)-3-methylbut-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.00003 | - |
- |
[Candida] glabrata | 5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | |
1.5.1.3 | 0.000039 | - |
- |
[Candida] glabrata | 3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol | |
1.5.1.3 | 0.00018 | - |
- |
Homo sapiens | 2,4-diamino-5-[3-(3-methoxy-5-(4-methoxyphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.0002 | - |
- |
Homo sapiens | 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)-3-methylbut-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.00021 | - |
- |
Homo sapiens | 2,4-diamino-5-[3-(3-methoxy-5-(4-tertbutylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.00029 | - |
- |
Homo sapiens | 2,4-diamino-5-[3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.0004 | - |
- |
Homo sapiens | 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]pyrimidine-2,4-diamine | |
1.5.1.3 | 0.00075 | - |
- |
Homo sapiens | 2,4-diamino-5-[3-(3-methoxy-5-(2-methylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.00122 | - |
- |
Homo sapiens | 5-[3-methoxy-3-(3,4,5-trimethoxyphenyl)prop-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | |
1.5.1.3 | 0.0013 | - |
- |
Homo sapiens | 2,4-diamino-5-[3-(3-methoxy-5-(2,6-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.00138 | - |
- |
Homo sapiens | 6-methyl-5-[3-(3,4,5-trimethoxyphenyl)but-1-yn-1-yl]pyrimidine-2,4-diamine | |
1.5.1.3 | 0.0014 | - |
- |
Homo sapiens | 2,4-diamino-5-[3-(3-methoxy-5-(3,5-dimethylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.0014 | - |
- |
Homo sapiens | 2,4-diamino-5-[3-(3-methoxy-5-(6-methylphenyl)phenyl)but-1-ynyl]-6-methylpyrimidine | |
1.5.1.3 | 0.0017 | - |
- |
Homo sapiens | 5-[3-(5-methoxybiphenyl-3-yl)but-1-yn-1-yl]-6-methylpyrimidine-2,4-diamine | |
1.5.1.3 | 0.00571 | - |
- |
Homo sapiens | 3-(2,4-diamino-6-methylpyrimidin-5-yl)-1-(3,4,5-trimethoxyphenyl)prop-2-yn-1-ol |