| E3 UniProt | Gene / protein | Relation type | Ligand role | Direct | Functional | Docking | Source | Evidence |
|---|---|---|---|---|---|---|---|---|
| P35869 | AHR;BHLHE76 Aryl hydrocarbon receptor |
reported_binder | bindingdb_reported | Yes | No | low | BindingDB:BDBM7402 | medium ; target=Aryl hydrocarbon receptor |
| Source | Source ID | Source URL | Download URL | DOI / PMID |
|---|---|---|---|---|
| BindingDB | BDBM7402 | Open | - | 10.1073/pnas.0708800104 PMID: 18077363 |
| Kind | Format | Status | Docking use | File / link | Preparation note |
|---|---|---|---|---|---|
| canonical_2d | SMILES | raw | Docking-ready | CC(=O)ON=C1C(=C2C(=O)Nc3cc(Br)ccc32)Nc2ccccc21 | keep_bindingdb_unique |
| generated_3d | SDF | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB000085/BDB000085.sdf | Generated from canonical SMILES |
| generated_3d | MOL2 | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB000085/BDB000085.mol2 | Generated from canonical SMILES |
| docking_ready | PDBQT | prepared | Docking-ready | public/e3_file/ligand_db/generated/BDB000085/BDB000085.pdbqt | Generated from canonical SMILES |
| image | PNG | prepared | Reference | public/e3_file/ligand_db/generated/BDB000085/BDB000085.png | Generated from canonical SMILES |
| image | SVG | prepared | Reference | public/e3_file/ligand_db/generated/BDB000085/BDB000085.svg | Generated from canonical SMILES |
| Target | Source | Assay | Result | Potency | Literature | Records |
|---|---|---|---|---|---|---|
|
Aryl hydrocarbon receptor P35869 E3 ligase component |
BindingDB:BDBM7402 | EC50 | 160 nM | Moderate |
DOI: 10.1073/pnas.0708800104
PMID: 18077363 |
1 |