| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| O75530 | EED Polycomb protein EED |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM656466 | medium ; target=Histone-lysine N-methyltransferase EZH2 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COC(=O)c1ccccc1CN1CC(NC(=O)c2cc(C(F)(F)F)ccc2O)CCC1=O | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033122/BDB033122.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033122/BDB033122.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033122/BDB033122.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033122/BDB033122.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033122/BDB033122.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Histone-lysine N-methyltransferase EZH2 O75530 E3 ligase component |
BindingDB:BDBM656466 | IC50 | 5500 nM | Low | DOI: 10.7270/Q2S46X7Q | 1 |