PDB ligand accession: 7T1
DrugBank: DB05416
PubChem:
ChEMBL:
InChI Key: YDBLKRPLXZNVNB-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1OCC(=O)O)SCc2c(nc(s2)c3ccc(cc3)C(F)(F)F)C
Drug action: agonist
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Phenoxyacetic acid derivatives
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
5U46 | Download | Experimental | e5u46A1 e5u46B1 | Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain | LigPlot |