| 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:BDBM765823 | medium ; target=Protein cereblon |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM765823 | Open | - | 10.7270/Q2DJ5MDK |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](COC(=O)NC2CN(c3cc(F)c(C4CCC(=O)NC4=O)c(F)c3)C2)C1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB040736/BDB040736.sdf | Generated from canonical SMILES; MOL2/PDBQT repaired by Open Babel fallback |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB040736/BDB040736.mol2 | Generated from canonical SMILES; repaired after batch conversion failure |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB040736/BDB040736.pdbqt | Generated from canonical SMILES; repaired after batch conversion failure |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB040736/BDB040736.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB040736/BDB040736.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Protein cereblon Q96SW2 E3 ligase component |
BindingDB:BDBM765823 | Ki | 550 nM | Moderate | DOI: 10.7270/Q2DJ5MDK | 1 |