| 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:BDBM656411 | medium ; target=Histone-lysine N-methyltransferase EZH2 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | O=C(NC1CC(=O)N(Cc2ccccc2C(F)(F)F)C1)c1ccc(Br)c(O)c1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033069/BDB033069.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033069/BDB033069.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB033069/BDB033069.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033069/BDB033069.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB033069/BDB033069.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Histone-lysine N-methyltransferase EZH2 O75530 E3 ligase component |
BindingDB:BDBM656411 | IC50 | >50000 nM | Low | DOI: 10.7270/Q2S46X7Q | 1 |