PDB ligand accession: DS5
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BMRRFNRRIWOMAT-QHCPKHFHSA-N
SMILES: CCC(CC)(c1ccc(c(c1)C)C#CC(C(F)(F)F)(C(F)(F)F)O)c2ccc(c(c2)C)OCC(CCC(=O)O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Benzene and substituted derivatives
- Subclass: Diphenylmethanes
- Class: Benzene and substituted derivatives
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3W0A | Download | Experimental | e3w0aA1 | Nuclear receptor ligand-binding domain | LigPlot |