| Index | Ligand Name | Structure | PDB code | ligand desolvation |
|---|---|---|---|---|
| 1 | cu4 | ALDH1A2 liganded with NAD and 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121) | 6b5h | 83.96 |
| 2 | cu4 | ALDH1A2 liganded with 1-(4-cyanophenyl)-N-(3-fluorophenyl)-3-[4-(methylsulfonyl)phenyl]-1H-pyrazole-4-carboxamide (compound CM121) | 6b5i | 82.99 |