| 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:BDBM755950 | medium ; target=DNA damage-binding protein 1 |
| Q96SW2 | CRBN;AD-006 Protein cereblon |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM755950 | medium ; target=DNA damage-binding protein 1 |
| Related source | Related name | Relationship | Decision | Tanimoto | Note |
|---|---|---|---|---|---|
| BindingDB:BDBM755950 | BDBM755950 | exact_full_inchikey | no_new_bindingdb_compound_link_evidence_to_base |
1.000000 chiral 1.000000 |
Exact structure already exists in E3/MolGlue base library |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | O=C1CCC(N2Cc3cc(-c4cc(CN5CCCC5)c5[nH]nc(NC6COC6)c5n4)ccc3C2=O)C(=O)N1 | keep_base |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/LIG000921/LIG000921.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/LIG000921/LIG000921.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/LIG000921/LIG000921.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/LIG000921/LIG000921.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/LIG000921/LIG000921.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
DNA damage-binding protein 1 Q16531 E3 ligase component |
BindingDB:BDBM755950 | IC50 | >5000 nM | Low | DOI: 10.7270/Q2WM1K1R | 2 source records |