Ligand name: 2-[2-[[2,3-bis(oxidanyl)phenyl]methyl-(2-hydroxy-2-oxoethyl)amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
PDB ligand accession: 9YK
DrugBank: n/a
PubChem: 131842057
ChEMBL: n/a
InChI Key: CCWNBVUPGJNFLR-UHFFFAOYSA-N
SMILES: CSc1ccccc1CN(CCN(Cc2cccc(c2O)O)CC(=O)O)CC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P33590

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ON4	Download	Experimental	e5on4A1 e5on4A2 e5on4A3 e5on4B1 e5on4B2 e5on4B3	Alpha-beta plaits Periplasmic binding protein-like II Periplasmic binding protein-like II Periplasmic binding protein-like II Periplasmic binding protein-like II Alpha-beta plaits	LigPlot
5ON1	Download	Experimental	e5on1A1 e5on1A2 e5on1A3 e5on1B1 e5on1B2 e5on1B3	Alpha-beta plaits Periplasmic binding protein-like II Periplasmic binding protein-like II Periplasmic binding protein-like II Periplasmic binding protein-like II Alpha-beta plaits	LigPlot