Page last updated: 2024-08-05 15:29:10
EC 2.1.1.45 (thymidylate synthase) inhibitor
An EC 2.1.1.* (methyltransferases) inhibitor that interferes with the action of thymidylate synthase (EC 2.1.1.45).
ChEBI ID: 63720
Members (2)
| Member | Definition | Class |
|---|---|---|
| pemetrexed | An N-acylglutamic acid in which the N-acyl group is specified as 4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]benzoyl. Inhibits thymidylate synthase (TS), 421 dihydrofolate reductase (DHFR), and glycinamide ribonucleotide formyltransferase (GARFT). | pemetrexed |
| trifluridine | A pyrimidine 2'-deoxyribonucleoside compound having 5-trifluoromethyluracil as the nucleobase. An antiviral drug used mainly in the treatment of primary keratoconjunctivitis and recurrent epithelial keratitis. | trifluridine |
Research
Studies (3,122)
| Timeframe | Studies, Drugs with This Role(%) | All Drugs % |
|---|---|---|
| pre-1990 | 221 (7.08) | 18.7374 |
| 1990's | 128 (4.10) | 18.2507 |
| 2000's | 578 (18.51) | 29.6817 |
| 2010's | 1,596 (51.12) | 24.3611 |
| 2020's | 599 (19.19) | 2.80 |
Study Types
| Publication Type | Studies, Drugs with this Role (%) | All Drugs (%) |
|---|---|---|
| Trials | 778 (24.20%) | 5.53% |
| Reviews | 445 (13.84%) | 6.00% |
| Case Studies | 352 (10.95%) | 4.05% |
| Observational | 42 (1.31%) | 0.25% |
| Other | 1,598 (49.70%) | 84.16% |
Protein Targets (62)
Potency Measurements
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Drugs |
|---|---|---|---|---|---|
| 67.9K protein | Vaccinia virus | Potency | 0.6962 | 2 | 2 |
| ATAD5 protein, partial | Homo sapiens (human) | Potency | 2.9093 | 1 | 1 |
| Cellular tumor antigen p53 | Homo sapiens (human) | Potency | 4.0712 | 2 | 2 |
| chromobox protein homolog 1 | Homo sapiens (human) | Potency | 79.4328 | 1 | 1 |
| cytochrome P450 family 3 subfamily A polypeptide 4 | Homo sapiens (human) | Potency | 1.0000 | 1 | 1 |
| DNA polymerase iota isoform a (long) | Homo sapiens (human) | Potency | 79.4328 | 1 | 1 |
| estrogen nuclear receptor alpha | Homo sapiens (human) | Potency | 12.4390 | 3 | 3 |
| estrogen receptor 2 (ER beta) | Homo sapiens (human) | Potency | 13.3332 | 1 | 1 |
| estrogen-related nuclear receptor alpha | Homo sapiens (human) | Potency | 0.9591 | 3 | 3 |
| EWS/FLI fusion protein | Homo sapiens (human) | Potency | 0.3903 | 4 | 4 |
| farnesoid X nuclear receptor | Homo sapiens (human) | Potency | 0.1059 | 1 | 1 |
| Fumarate hydratase | Homo sapiens (human) | Potency | 11.2202 | 1 | 1 |
| geminin | Homo sapiens (human) | Potency | 1.6360 | 1 | 1 |
| GLI family zinc finger 3 | Homo sapiens (human) | Potency | 15.8465 | 1 | 1 |
| glp-1 receptor, partial | Homo sapiens (human) | Potency | 2.2387 | 1 | 1 |
| heat shock protein beta-1 | Homo sapiens (human) | Potency | 33.4889 | 1 | 1 |
| Histone H2A.x | Cricetulus griseus (Chinese hamster) | Potency | 0.3257 | 2 | 2 |
| IDH1 | Homo sapiens (human) | Potency | 1.8356 | 1 | 1 |
| lamin isoform A-delta10 | Homo sapiens (human) | Potency | 1.9953 | 1 | 1 |
| nuclear factor erythroid 2-related factor 2 isoform 1 | Homo sapiens (human) | Potency | 16.8956 | 2 | 2 |
| nuclear factor erythroid 2-related factor 2 isoform 2 | Homo sapiens (human) | Potency | 10.3225 | 1 | 1 |
| nuclear receptor subfamily 1, group I, member 3 | Homo sapiens (human) | Potency | 6.6824 | 2 | 2 |
| peroxisome proliferator activated receptor gamma | Homo sapiens (human) | Potency | 0.8676 | 2 | 2 |
| polyprotein | Zika virus | Potency | 11.2202 | 1 | 1 |
| polyunsaturated fatty acid lipoxygenase ALOX12 | Homo sapiens (human) | Potency | 11.2202 | 1 | 1 |
| Spike glycoprotein | Severe acute respiratory syndrome-related coronavirus | Potency | 4.4803 | 2 | 2 |
| survival motor neuron protein isoform d | Homo sapiens (human) | Potency | 12.5893 | 1 | 1 |
| TDP1 protein | Homo sapiens (human) | Potency | 0.1991 | 2 | 4 |
| thioredoxin reductase | Rattus norvegicus (Norway rat) | Potency | 100.0000 | 1 | 1 |
| thyroid hormone receptor beta isoform 2 | Rattus norvegicus (Norway rat) | Potency | 8.7676 | 2 | 2 |
| tyrosine-protein kinase Yes | Homo sapiens (human) | Potency | 38.7088 | 1 | 1 |
Inhibition Measurements
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Drugs |
|---|---|---|---|---|---|
| Bifunctional dihydrofolate reductase-thymidylate synthase | Toxoplasma gondii | IC50 | 2.4780 | 15 | 15 |
| Bifunctional purine biosynthesis protein ATIC | Homo sapiens (human) | IC50 | 0.0700 | 1 | 1 |
| Bifunctional purine biosynthesis protein ATIC | Homo sapiens (human) | Ki | 200.0000 | 1 | 1 |
| Bile salt export pump | Homo sapiens (human) | IC50 | 1,000.0000 | 1 | 1 |
| Chain A, Thymidylate Synthase | Escherichia coli | Ki | 0.1090 | 1 | 2 |
| Chain A, Thymidylate Synthase | Homo sapiens (human) | Ki | 0.1090 | 1 | 1 |
| Dihydrofolate reductase | Escherichia coli K-12 | IC50 | 383.5250 | 12 | 12 |
| Dihydrofolate reductase | Homo sapiens (human) | IC50 | 7.6762 | 17 | 17 |
| Dihydrofolate reductase | Lacticaseibacillus casei | IC50 | 173.0750 | 4 | 4 |
| Dihydrofolate reductase | Pneumocystis carinii | IC50 | 230.0000 | 1 | 1 |
| Dihydrofolate reductase | Homo sapiens (human) | Ki | 0.0071 | 3 | 3 |
| Dihydrofolate reductase | Mus musculus (house mouse) | Ki | 0.5600 | 1 | 1 |
| exodeoxyribonuclease V subunit RecB | Escherichia coli str. K-12 substr. MG1655 | IC50 | 92.2685 | 2 | 2 |
| exodeoxyribonuclease V subunit RecC | Escherichia coli str. K-12 substr. MG1655 | IC50 | 92.2685 | 2 | 2 |
| exodeoxyribonuclease V subunit RecD | Escherichia coli str. K-12 substr. MG1655 | IC50 | 92.2685 | 2 | 2 |
| Folate receptor alpha | Homo sapiens (human) | IC50 | 0.2417 | 6 | 6 |
| Folate receptor beta | Homo sapiens (human) | IC50 | 0.2585 | 6 | 6 |
| Proton-coupled folate transporter | Homo sapiens (human) | IC50 | 0.0229 | 5 | 5 |
| Proton-coupled folate transporter | Homo sapiens (human) | Ki | 0.6776 | 7 | 7 |
| Reduced folate transporter | Homo sapiens (human) | IC50 | 0.0928 | 5 | 5 |
| Serine hydroxymethyltransferase, cytosolic | Homo sapiens (human) | Ki | 79.2333 | 3 | 3 |
| Thymidine kinase | Macacine alphaherpesvirus 1 | IC50 | 2.0000 | 1 | 1 |
| Thymidylate kinase | Mycobacterium tuberculosis H37Rv | Ki | 97.0000 | 1 | 1 |
| Thymidylate synthase | Homo sapiens (human) | IC50 | 15.8118 | 22 | 22 |
| Thymidylate synthase | Lacticaseibacillus casei | IC50 | 29.0000 | 4 | 4 |
| Thymidylate synthase | Homo sapiens (human) | Ki | 0.1142 | 3 | 3 |
| Thymidylate synthase | Lacticaseibacillus casei | Ki | 0.5500 | 1 | 1 |
| Thymidylate synthase | Mus musculus (house mouse) | Ki | 0.3400 | 1 | 1 |
| Thymidylate synthase | Escherichia coli | IC50 | 122.2385 | 13 | 13 |
| Thymidylate synthase | Escherichia coli LF82 | IC50 | 76.0000 | 1 | 1 |
| Thymidylate synthase | Rattus norvegicus (Norway rat) | IC50 | 20.0000 | 1 | 1 |
| Trifunctional purine biosynthetic protein adenosine-3 | Homo sapiens (human) | IC50 | 5.0285 | 6 | 6 |
| Trifunctional purine biosynthetic protein adenosine-3 | Mus musculus (house mouse) | IC50 | 20.0000 | 3 | 3 |
| Trifunctional purine biosynthetic protein adenosine-3 | Homo sapiens (human) | Ki | 0.6112 | 4 | 4 |
Activation Measurements
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Drugs |
|---|---|---|---|---|---|
| Serine hydroxymethyltransferase, cytosolic | Homo sapiens (human) | Kd | 16.9000 | 1 | 1 |
Other Measurements
| Protein | Taxonomy | Measurement | Average (mM) | Bioassay(s) | Drugs |
|---|---|---|---|---|---|
| LMP1 [Human herpesvirus 4] | human gammaherpesvirus 4 (Epstein-Barr virus) | AC50 | 1.3180 | 2 | 2 |
| Proton-coupled folate transporter | Homo sapiens (human) | K | 0.1570 | 2 | 2 |
| Thymidine phosphorylase | Homo sapiens (human) | Km | 798.0000 | 1 | 1 |
| Thymidylate synthase | Mus musculus (house mouse) | ID50 | 0.0350 | 1 | 1 |