| Index | Ligand Name | Structure | PDB code | ligand desolvation |
|---|---|---|---|---|
| 1 | 9pl | Human Cytochrome P450 2A6 in complex with Pilocarpine | 3t3r | 100 |
| 2 | d1g | Microsomal P450 2A6 with the inhibitor N,N-Dimethyl(5-(pyridin-3-yl)furan-2-yl)methanamine bound | 2fdu | 99.59 |
| 3 | 9pl | Human Cytochrome P450 2A6 I208S/I300F/G301A/S369G in complex with Pilocarpine | 3t3q | 99.42 |