Detroit 98
Target ID: CHEMBL614059
Organism: Homo sapiens
Type: CELL-LINE
Molecules
| Name | SMILES | Bioactivity | Structure |
|---|---|---|---|
| ADENOSINE | Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O | Km: 42000.0 nM |  |
| AMINOPTERIN | Nc1nc(N)c2nc(CNc3ccc(C(=O)N[C@@H](CCC(=O)O)C(=O)O)cc3)cnc2n1 | Ki: 0.0037 nM |  |
Top Fragments
| SMILES | Avg pKi | Count | Structure |
|---|---|---|---|
| [16*]c1ccc([16*])cc1 | 11.43 | 39 |  |
| [4*][C@@H](CCC(=O)O)C(=O)O | 11.43 | 39 |  |
| [14*]c1cnc2nc(N)nc(N)c2n1 | 11.43 | 39 |  |
| [1*]C([6*])=O | 11.43 | 39 |  |
| c1ccc(NCc2cnc3ncncc3n2)cc1 | 11.43 | 39 |  |