PDB ligand accession: RLL
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BCJNRNBOQWJRIM-QFIPXVFZSA-N
SMILES: CC(COc1ccc(c2c1cccc2)C#N)(C(=O)Nc3ccc(c(c3)C(F)(F)F)C#N)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: None
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3RLL | Download | Experimental | e3rllA1 | Nuclear receptor ligand-binding domain | LigPlot |