| 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:BDBM535786 | medium ; target=E3 ubiquitin-protein ligase Mdm2 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CCC(O)(CN1CC[C@@H](O)C1)c1cc(F)c2c(c1)C(=O)N(Cc1ncc(Cl)cn1)[C@@]2(O[C@H]1CCOC1)c1ccc(Cl)cc1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB023643/BDB023643.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB023643/BDB023643.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB023643/BDB023643.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB023643/BDB023643.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB023643/BDB023643.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
E3 ubiquitin-protein ligase Mdm2 Q00987 E3 ligase component |
BindingDB:BDBM535786 | IC50 | 17 nM | High | DOI: 10.7270/Q2XD14WT | 1 |
|
E3 ubiquitin-protein ligase Mdm2 Q00987 E3 ligase component |
BindingDB:BDBM535786 | IC50 | 1.3 nM | Very high | DOI: 10.7270/Q2XD14WT | 1 |