P813
| Id | 813 |
| Inchikey | AIKMHADXUOCSLX-BDAKNGLRSA-N |
| Smiles | O=C(O)[C@@H]1CCO[C@H]1CNCc1cncs1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.983795 |
| Binding_energy | -76.193431 |
| Ligand_energy | 34.39616107636106 |
| Placement | Placement_814 "DNV2_NS5A-x0615 w/ C814" |