| 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:BDBM601695 | medium ; target=E3 ubiquitin-protein ligase Mdm2 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COc1ncc(-c2nc3c(n2C(C)C)C(c2ccc(Cl)cc2)N(c2cc(Cl)cc4[nH]ncc24)C3=O)c(OC)n1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB029740/BDB029740.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB029740/BDB029740.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB029740/BDB029740.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB029740/BDB029740.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB029740/BDB029740.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
E3 ubiquitin-protein ligase Mdm2 Q00987 E3 ligase component |
BindingDB:BDBM601695 | IC50 | 1.1 nM | Very high | DOI: 10.7270/Q21J9FQN | 1 |