PDB ligand accession: ASW
DrugBank: DB00276
PubChem:
ChEMBL:
InChI Key: XCPGHVQEEXUHNC-UHFFFAOYSA-N
SMILES: COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
Drug action: inhibitor
ClassyFire chemical classification:
- Kingdom: Organic compounds
- Superclass: Organoheterocyclic compounds
- Class: Quinolines and derivatives
- Subclass: Benzoquinolines
- Class: Quinolines and derivatives
- Superclass: Organoheterocyclic compounds
PDB/AF Accession | PyMOL script | Experimental / Predicted | Interacting ECOD domains | ECOD X-group name | LigPlot |
---|---|---|---|---|---|
4G0U | Download | Experimental | e4g0uB14 e4g0uB16 e4g0uA1 e4g0uA4 | HTH HAD domain-related HAD domain-related HTH | LigPlot |