Thymidylate synthase/AICAR transformylase
Target ID: CHEMBL3885527
Organism: Homo sapiens
Type: PROTEIN FAMILY
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| PEMETREXED | Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)c2c(=O)[nH]1 | IC50: 2300.0 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [8*]CC[8*] | 5.64 | 39 |  |
| [16*]c1c[nH]c2nc(N)[nH]c(=O)c12 | 5.64 | 39 |  |
| [5*]N[5*] | 5.64 | 39 |  |
| [16*]c1ccc([16*])cc1 | 5.64 | 39 |  |
| [4*][C@@H](CCC(=O)O)C(=O)O | 5.64 | 39 |  |