| Index | Ligand Name | Structure | PDB code | ligand desolvation |
|---|---|---|---|---|
| 1 | 9pl | Human Cytochrome P450 2A13 in complex with Pilocarpine | 3t3s | 100 |
| 2 | 0qa | Human Cytochrome P450 2A13 in complex with two molecules of 4-(methylnitrosamino)-1-(3-puridyl)-1-butanone | 4eji | 99.87 |
| 3 | 0qa | Human Cytochrome P450 2A13 in complex with 4-(methylnitrosamino)-1-(3-pyridyl)-1-butanone (NNK) | 4ejh | 99.86 |