| 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:BDBM576169 | medium ; target=Kelch-like ECH-associated protein 1 |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM576169 | Open | - | 10.7270/Q21V5J6R |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | O=C(O)C[C@@H]1c2cnc(nc2)OC/C=C/CCc2c(F)c(F)c(c(F)c2F)C(=O)N2CCc3ccc1cc3C2 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB028125/BDB028125.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB028125/BDB028125.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB028125/BDB028125.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB028125/BDB028125.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB028125/BDB028125.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Kelch-like ECH-associated protein 1 Q14145 E3 ligase component |
BindingDB:BDBM576169 | IC50 | 50 nM | High | DOI: 10.7270/Q21V5J6R | 1 |