PDB ligand accession: 5FB
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: IOTPZQVXYNGZSS-MRXNPFEDSA-N
SMILES: COc1cc(ccc1Oc2ccc(cc2C(F)(F)F)C#N)CC3C(=O)NC(=O)S3
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylethers
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3K6P | Download | Experimental | e3k6pA1 | Nuclear receptor ligand-binding domain | LigPlot |