P726
| Id | 726 |
| Inchikey | JKDVGUUNALSXLQ-ZDUSSCGKSA-N |
| Smiles | O=C(Cc1cccnc1)NC[C@@H](O)CNCc1cscn1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.887474 |
| Binding_energy | -50.950561 |
| Ligand_energy | 52.794564140642386 |
| Placement | Placement_727 "DNV2_NS5A-x0191 w/ C727" |