| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q14145 | KEAP1;INRF2;KIAA0132;KLHL19 Kelch-like ECH-associated protein 1 |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM304895 | medium ; target=Kelch-like ECH-associated protein 1 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC[C@@H]1CN(Cc2cc(C(CCc3cn(CC)nn3)CC(=O)O)ccc2C(F)(F)F)S(=O)(=O)c2ccccc2O1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB013557/BDB013557.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB013557/BDB013557.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB013557/BDB013557.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB013557/BDB013557.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB013557/BDB013557.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Kelch-like ECH-associated protein 1 Q14145 E3 ligase component |
BindingDB:BDBM304895 | IC50 | 55 nM | High | DOI: 10.7270/Q25X2C17 | 1 |