| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q00987 | MDM2 E3 ubiquitin-protein ligase Mdm2 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM432042 | medium ; target=E3 ubiquitin-protein ligase Mdm2 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CCOc1cccc(CN2[C@H]3CN(c4ccc(C(=O)NO)cc4)C(=O)[C@H]3[C@H](c3cccc(Cl)c3F)[C@]23C(=O)Nc2cc(Cl)ccc23)c1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB018068/BDB018068.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB018068/BDB018068.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB018068/BDB018068.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB018068/BDB018068.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB018068/BDB018068.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
E3 ubiquitin-protein ligase Mdm2 Q00987 E3 ligase component |
BindingDB:BDBM432042 | IC50 | 4 nM | Very high | DOI: 10.7270/Q2NC63KF | 1 |