Thrombin & trypsin
Target ID: CHEMBL2096988
Organism: Homo sapiens
Type: SELECTIVITY GROUP
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ARGATROBAN | CC1CNc2c(cccc2S(=O)(=O)N[C@@H](CCCNC(=N)N)C(=O)N2CC[C@@H](C)C[C@@H]2C(=O)O)C1 | IC50: 9.0 nM |  |
| EFEGATRAN | CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCN=C(N)N | ED50: 0.04 mg.kg-1 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [5*]N[5*] | 8.05 | 77 |  |
| [5*]NC | None | 39 |  |
| [5*]N1CCC[C@H]1[13*] | None | 39 |  |
| [1*]C(=O)[C@H]([4*])C[8*] | None | 39 |  |
| [16*]c1ccccc1 | None | 39 |  |