| 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:BDBM708690 | 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(Cc2cc3c(C4CC4)cn(-c4cc(-c5ccc(F)cc5C(N)=O)cc(C5CC5)n4)c(=O)c3[nH]2)C1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB035292/BDB035292.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB035292/BDB035292.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB035292/BDB035292.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB035292/BDB035292.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB035292/BDB035292.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
E3 ubiquitin-protein ligase CBL-B Q13191 E3 ligase component |
BindingDB:BDBM708690 | IC50 | 550 nM | Moderate | DOI: 10.7270/Q2FB57G5 | 1 |