| 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:BDBM227062 | medium ; target=E3 ubiquitin-protein ligase CBL-B |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC1CC(c2cccc(-n3[nH]c(=O)c4c(C(F)(F)F)cc(CN5CCC[C@H](C)C5)cc4c3=O)c2)(c2nncn2C)C1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB010997/BDB010997.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB010997/BDB010997.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB010997/BDB010997.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB010997/BDB010997.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB010997/BDB010997.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
E3 ubiquitin-protein ligase CBL-B Q13191 E3 ligase component |
BindingDB:BDBM227062 | IC50 | 275 nM | Moderate | DOI: 10.7270/Q2377FJ5 | 1 |