PDB ligand accession: RLJ
DrugBank: DB12078
PubChem:
ChEMBL:
InChI Key: JNGVJMBLXIUVRD-SFHVURJKSA-N
SMILES: CC(COc1ccc(cc1)C#N)(C(=O)Nc2ccc(c(c2)C(F)(F)F)C#N)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Trifluoromethylbenzenes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3RLJ | Download | Experimental | e3rljA1 | Nuclear receptor ligand-binding domain | LigPlot |