P803
| Id | 803 |
| Inchikey | AYRPVLHPYFLNIA-ZDUSSCGKSA-N |
| Smiles | C[C@H](NCCCNC(=O)C1CCC1)c1cnc(-c2ccccn2)s1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.862768 |
| Binding_energy | -66.509775 |
| Ligand_energy | 68.36379960617032 |
| Placement | Placement_804 "DNV2_NS5A-x0472 w/ C804" |