Beta-chymotrypsin
Target ID: CHEMBL4796
Organism: Homo sapiens
Type: SINGLE PROTEIN
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| QUERCETIN | O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12 | IC50: 32870.0 nM |  |
| BORTEZOMIB | CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cnccn1)B(O)O | Ki: 0.62 nM |  |
| RAZAXABAN | CN(C)Cc1nccn1-c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3onc(N)c3c2)c(F)c1 | Ki: 0.19 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [1*]C([6*])=O | 9.41 | 65 |  |
| [5*]N[5*] | 9.41 | 65 |  |
| O=c1cc(-c2ccccc2)oc2ccccc12 | 4.48 | 39 |  |
| [14*]c1oc2cc(O)cc(O)c2c(=O)c1O | 4.48 | 39 |  |
| [16*]c1ccc(O)c(O)c1 | 4.48 | 39 |  |