Ligand name: 3-HYDROXY-7-(4-{1-[2-HYDROXY-3-(2-HYDROXY-5-SULFO-PHENYLAZO)-BENZYL]-2-SULFO-ETHYLAMINO}-[1,2,5]TRIAZIN-2-YLAMINO)-2-(2-HYDROXY-5-SULFO-PHENYLAZO)-NAPTHALENE-1,8-DISULFONIC ACID
PDB ligand accession: RR6
DrugBank: DB03853
PubChem: n/a
ChEMBL: n/a
InChI Key: PJONDRDKCIFXDA-CHQNLTHESA-N
SMILES: c1cc(c(cc1S(=O)(=O)O)N=Nc2c(cc3c(c2O)ccc(c3S(=O)(=O)O)Nc4ncnc(n4)Nc5ccc6c(c5S(=O)(=O)O)cc(c(c6O)N=Nc7cc(ccc7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Naphthalenes
      • Subclass: Naphthalene sulfonic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein A2KD59

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1QD0	Download	Experimental	e1qd0A1	Immunoglobulin-like beta-sandwich	LigPlot