Thymidylate synthase/GAR transformylase/AICAR transformylase
Target ID: CHEMBL3885528
Organism: Homo sapiens
Type: PROTEIN FAMILY
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| METHOTREXATE | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc1 | ID50: 6.2 nM |  |
| 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 |
|---|---|---|---|
| [5*]N[5*] | 6.92 | 78 |  |
| [16*]c1ccc([16*])cc1 | 6.92 | 78 |  |
| [4*][C@@H](CCC(=O)O)C(=O)O | 6.92 | 78 |  |
| [1*]C([6*])=O | 6.92 | 78 |  |
| c1ccc(NCc2cnc3ncncc3n2)cc1 | 8.21 | 39 |  |