PDB ligand accession: 3EQ
DrugBank: n/a
PubChem:
ChEMBL: n/a
InChI Key: XUMLNRUSPQDSIN-UHFFFAOYSA-N
SMILES: CCCCN(c1cccc(c1C)c2ccc(cc2)SC)S(=O)(=O)c3ccc(c4c3cccc4)OCC(=O)O
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Benzenoids
- Class: Naphthalenes
- Subclass: Naphthalene sulfonic acids and derivatives
- Class: Naphthalenes
- Superclass: Benzenoids
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
3PEQ | Download | Experimental | e3peqA1 e3peqB1 | Nuclear receptor ligand-binding domain Nuclear receptor ligand-binding domain | LigPlot |