PDB ligand accession: NSI
DrugBank: n/a
PubChem:
ChEMBL:
InChI Key: BCPFCXDCWUXOGT-UHFFFAOYSA-N
SMILES: COc1ccc(cc1)c2c3ccccc3n(c2C(=O)NS(=O)(=O)c4ccccc4)Cc5cccc(c5)C(F)(F)F
Drug action: n/a
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Indoles and derivatives
- Subclass: Indolecarboxylic acids and derivatives
- Class: Indoles and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
2HFP | Download | Experimental | e2hfpA1 | Nuclear receptor ligand-binding domain | LigPlot |