| Index | Ligand Name | Ligand Structure | Gene Name Primary | Protein Name | Uniprot ID | Gene Name Synonym | PDB Codes |
| 1 | yff | | PADI4 | Protein-arginine deiminase type-4 | Q9UM07 | PAD4 PADI5 PDI5 | 3b1u |
| 2 | ycl | | PADI4 | Protein-arginine deiminase type-4 | Q9UM07 | PAD4 PADI5 PDI5 | 3b1t |
| 3 | bag | | PADI4 | Protein-arginine deiminase type-4 | Q9UM07 | PAD4 PADI5 PDI5 | 1wda |
| 4 | 8ht | | PADI4 | Protein-arginine deiminase type-4 | Q9UM07 | PAD4 PADI5 PDI5 | 5n0m |
| 5 | 8fq | | PADI4 | Protein-arginine deiminase type-4 | Q9UM07 | PAD4 PADI5 PDI5 | 5n0y |
| 6 | 8ft | | PADI4 | Protein-arginine deiminase type-4 | Q9UM07 | PAD4 PADI5 PDI5 | 5n0z |
| 7 | 8fw | | PADI4 | Protein-arginine deiminase type-4 | Q9UM07 | PAD4 PADI5 PDI5 | 5n1b |