PDB ligand accession: HV4
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: QREKGPHPIGGKCE-FLIBITNWSA-N
SMILES: C#CCOc1ccc(cc1)C=C2C(=O)NC(=S)S2
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Phenol ethers
- Subclass: None
- Class: Phenol ethers
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
6E5A | Download | Experimental | e6e5aA1 e6e5aB1 | Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain | LigPlot |