Ligand name: N-[9-(2-carboxyphenyl)-6-(diethylamino)-3H-xanthen-3-ylidene]-N-ethylethanaminium
PDB ligand accession: RHB
DrugBank: n/a
PubChem: 6695
ChEMBL: CHEMBL1185708
InChI Key: CVAVMIODJQHEEH-UHFFFAOYSA-O
SMILES: CCN(CC)c1ccc2c(c1)OC3=CC(=[N+](CC)CC)C=CC3=C2c4ccccc4C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzopyrans
      • Subclass: 1-benzopyrans

List of PDB structures and/or AlphaFold models with target protein C6KFA4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4GLJ	Download	Experimental	e4gljA2	Phosphorylase/hydrolase-like	LigPlot