Matrix metalloproteinase-2
Target ID: CHEMBL333
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 |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [3*]O[3*] | 5.0 | 15 |  |
| [1*]C(=O)[C@@H]1c2cc3c(c(O)c2[C@@H](O[3*])C[C@@]1([15*])O)C(=O)c1c(O)cccc1C3=O | 5.0 | 15 |  |
| [13*][C@H]1C[C@H](O)[C@H]([15*])[C@H](C)O1 | 5.0 | 15 |  |
| [3*]OC | 5.0 | 15 |  |
| O=C1CC[C@H](O[C@H]2CC[C@H](O[C@H]3CC[C@H](O[C@H]4CCCc5cc6c(cc54)C(=O)c4ccccc4C6=O)OC3)OC2)OC1 | 5.0 | 15 |  |