PDB ligand accession: B5R
DrugBank: DB07419
PubChem:
ChEMBL:
InChI Key: SSFVOEAXHZGTRJ-KRWDZBQOSA-N
SMILES: CC(COc1ccc(c(c1)F)Cl)(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 |
---|---|---|---|---|---|
3B5R | Download | Experimental | e3b5rA1 | Nuclear receptor ligand-binding domain | LigPlot |