| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q16531 | DDB1;XAP1 DNA damage-binding protein 1 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM511615 | medium ; target=DNA damage-binding protein 1 |
| Q96SW2 | CRBN;AD-006 Protein cereblon |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM511615 | medium ; target=DNA damage-binding protein 1 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COC(=O)C[C@@H]1N=C(c2ccc(Cl)cc2)c2c(sc(C(=O)NCCCCCCCCNC(=O)COc3cccc4c3C(=O)N(C3CCC(=O)NC3=O)C4=O)c2C)-n2c(C)nnc21 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB021113/BDB021113.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB021113/BDB021113.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB021113/BDB021113.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB021113/BDB021113.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB021113/BDB021113.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
DNA damage-binding protein 1 Q16531 E3 ligase component |
BindingDB:BDBM511615 | IC50 | 27 nM | High | DOI: 10.7270/Q2G44TFM | 2 source records |