P450
| Id | 450 |
| Inchikey | VSNBBDNGMDIROM-QMMMGPOBSA-N |
| Smiles | Cc1cnc(CN[C@@H](C)c2ncc[nH]2)[nH]1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.946852 |
| Binding_energy | -33.773612 |
| Ligand_energy | 16.063673438296263 |
| Placement | Placement_450 "Zika_NS5A-x0103 w/ C450" |