P812
| Id | 812 |
| Inchikey | NOINGOYTRGWMNJ-JTQLQIEISA-N |
| Smiles | CCc1nc(-n2cccc2)sc1C(=O)O[C@@H](C)CC |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.97023 |
| Binding_energy | -73.927571 |
| Ligand_energy | 32.38817991097832 |
| Placement | Placement_813 "DNV2_NS5A-x0472 w/ C813" |