| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| Q07869 | PPARA;NR1C1;PPAR Peroxisome proliferator-activated receptor alpha |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM539997 | medium ; target=Peroxisome proliferator-activated receptor alpha |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | COc1ccc2nc(OC)c(C(=O)/C=C/c3cc(C)c(OC(C)(C)C(=O)O)c(C)c3)cc2c1 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB024070/BDB024070.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB024070/BDB024070.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB024070/BDB024070.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB024070/BDB024070.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB024070/BDB024070.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Peroxisome proliferator-activated receptor alpha Q07869 E3 ligase component |
BindingDB:BDBM539997 | EC50 | 5.4 nM | Very high | DOI: 10.7270/Q26H4MMP | 1 |