P430
Id | 430 |
Inchikey | IFDYFVJPLPTESE-NSHDSACASA-N |
Smiles | O=C1CC(CC(=O)N2CCC[C@H](c3ccn[nH]3)C2)CC(=O)N1 |
Mol |
|
Is_fingerprinted | False |
Origin | COMPUTED |
Inspiration_distance | 0.723121 |
Binding_energy | -48.255499 |
Ligand_energy | 29.039554620782788 |
Placement | Placement_430 "DNV2_NS5A-x0160 w/ C430" |