PDB ligand accession: 8RR
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: FLCJPWUNOIWRCO-UHFFFAOYSA-N
SMILES: Cc1cc(ccc1OCC(=O)O)SCc2c(nc([se]2)c3ccc(cc3)C(F)(F)F)C
Drug action: n/a
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 |
---|---|---|---|---|---|
5Y7X | Download | Experimental | e5y7xA1 e5y7xB1 | Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain | LigPlot |