P823
| Id | 823 |
| Inchikey | YJYVHQCEAAVCOQ-GFCCVEGCSA-N |
| Smiles | c1cc(O[C@@H]2CCN(c3ncnc4ccsc34)C2)ccn1 |
| Mol |
|
| Is_fingerprinted | False |
| Origin | COMPUTED |
| Inspiration_distance | 0.845918 |
| Binding_energy | -52.801409 |
| Ligand_energy | 26.933431923937874 |
| Placement | Placement_824 "DNV2_NS5A-x0160 w/ C824" |