Trypsin I
Target ID: CHEMBL209
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ACLARUBICIN | CC[C@@]1(O)C[C@H](O[C@H]2C[C@H](N(C)C)[C@H](O[C@H]3C[C@H](O)[C@H](O[C@H]4CCC(=O)[C@H](C)O4)[C@H](C)O3)[C@H](C)O2)c2c(cc3c(c2O)C(=O)c2c(O)cccc2C3=O)[C@H]1C(=O)OC | IC50: 9900.0 nM |  |
| NAFAMOSTAT | N=C(N)Nc1ccc(C(=O)Oc2ccc3cc(C(=N)N)ccc3c2)cc1 | IC50: 12000.0 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 |
|---|---|---|---|
| [1*]C([6*])=O | 4.92 | 77 |  |
| [3*]O[3*] | 4.94 | 53 |  |
| [5*]NC | None | 39 |  |
| [5*]N1CCC[C@H]1[13*] | None | 39 |  |
| [5*]N[5*] | None | 39 |  |