| 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:BDBM119751 | medium ; target=E3 ubiquitin-protein ligase Mdm2 |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM119751 | Open | - | 10.7270/Q27S7MD6 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC(C)(C)C[C@@H]1N(N(C(=O)C(F)(F)F)C2CC(C)(O)C2)[C@@H](C(=O)O)[C@H](c2cccc(F)c2F)C12C(=O)Nc1cc(Cl)c(F)cc12 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB005207/BDB005207.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB005207/BDB005207.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB005207/BDB005207.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB005207/BDB005207.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB005207/BDB005207.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
E3 ubiquitin-protein ligase Mdm2 Q00987 E3 ligase component |
BindingDB:BDBM119751 | IC50 | 389 nM | Moderate | DOI: 10.7270/Q27S7MD6 | 1 |
|
E3 ubiquitin-protein ligase Mdm2 Q00987 E3 ligase component |
BindingDB:BDBM119751 | IC50 | 473 nM | Moderate | DOI: 10.7270/Q27S7MD6 | 1 |