P822
| Id | 822 |
| Inchikey | QTGZOLSVQNYTNC-GASCZTMLSA-N |
| Smiles | O=S(=O)(c1cccnc1)N1C[C@H]2CC[C@@H](C1)N2C1CCNCC1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.889088 |
| Binding_energy | -54.460755 |
| Ligand_energy | 31.63737488833543 |
| Placement | Placement_823 "DNV2_NS5A-x0472 w/ C823" |