P817
| Id | 817 |
| Inchikey | FIEYKTMTQAVOEV-SNVBAGLBSA-N |
| Smiles | Cc1cccnc1[C@H](N)Cc1cncs1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.920848 |
| Binding_energy | -38.743068 |
| Ligand_energy | 20.95118853199053 |
| Placement | Placement_818 "DNV2_NS5A-x0160 w/ C818" |