Table 5. GLIDE docking results for BIX-01294 and compound 14 at the catalytic site of G9a (PDB ID: 3FPD).
| S. No. | Ligand ID | Docking Score | GLIDE score | Interactions | ||
|---|---|---|---|---|---|---|
| Hydrogen Bonds | Interaction with Zn2+ | |||||
| Backbone | Side Chain | |||||
| 1 | BIX-01294 | −7.664 | −8.134 | Ala1134 | Asp1131,Asp1135,Asp1140; | NA |
| 2 | 14 | −7.321 | −7.52 | Arg1137, Glu1138 | Asp1131,Asp1135,Asp1140,Arg1214; | NA |