| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q96SW2 | CRBN;AD-006 Protein cereblon |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM95487 | medium ; target=Protein cereblon |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC(C)(C)OC(=O)NCCCCCOc1ccc2nc(N3CC4(CC(=O)N(C5CCC(=O)NC5=O)C4=O)C3)sc2c1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB004093/BDB004093.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB004093/BDB004093.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB004093/BDB004093.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB004093/BDB004093.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB004093/BDB004093.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Protein cereblon Q96SW2 E3 ligase component |
BindingDB:BDBM95487 | Kd | >100000 nM | Low | DOI: 10.7270/Q2TX3M56 | 1 |