| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| P37231 | PPARG;NR1C3 Peroxisome proliferator-activated receptor gamma |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM614850 | medium ; target=Peroxisome proliferator-activated receptor gamma |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CCN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(NC[C@H]2CCN(CC(N)=O)C[C@@H]2O)c1F | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB030506/BDB030506.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB030506/BDB030506.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB030506/BDB030506.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB030506/BDB030506.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB030506/BDB030506.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Peroxisome proliferator-activated receptor gamma P37231 E3 ligase component |
BindingDB:BDBM614850 | EC50 | 12 nM | High | DOI: 10.7270/Q2TT4W2H | 1 |
|
Peroxisome proliferator-activated receptor gamma P37231 E3 ligase component |
BindingDB:BDBM614850 | EC50 | 9.3 nM | Very high | DOI: 10.7270/Q2TT4W2H | 1 |