| 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:BDBM728864 | 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(CC(=O)O)c3cc(Cl)c4c(nnn4C)c3C)cc3ccsc23)S(=O)(=O)c2cc(Cl)cnc2O1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB036327/BDB036327.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB036327/BDB036327.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB036327/BDB036327.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB036327/BDB036327.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB036327/BDB036327.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Kelch-like ECH-associated protein 1 Q14145 E3 ligase component |
BindingDB:BDBM728864 | IC50 | 20 nM | High | DOI: 10.7270/Q2C53RDC | 1 |