| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q13191 | CBLB;RNF56;Nbla00127 E3 ubiquitin-protein ligase CBL-B |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM227095 | medium ; target=E3 ubiquitin-protein ligase CBL-B |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | C[C@H]1CCCN(Cc2cc(C(F)(F)F)c3ncn(-c4cc(C5(c6nncn6C)CC6(CC6)C5)ccn4)c(=O)c3c2)C1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB011030/BDB011030.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB011030/BDB011030.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB011030/BDB011030.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB011030/BDB011030.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB011030/BDB011030.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
E3 ubiquitin-protein ligase CBL-B Q13191 E3 ligase component |
BindingDB:BDBM227095 | IC50 | 35 nM | High | DOI: 10.7270/Q2377FJ5 | 1 |