Ligand name: 2-[2-[2-hydroxy-2-oxoethyl-[(3-methoxy-2-oxidanyl-phenyl)methyl]amino]ethyl-[(2-methylsulfanylphenyl)methyl]amino]ethanoic acid
PDB ligand accession: 9YH
DrugBank: n/a
PubChem: 131842056
ChEMBL: n/a
InChI Key: WFZIZUYYKZMMKQ-UHFFFAOYSA-N
SMILES: COc1cccc(c1O)CN(CCN(Cc2ccccc2SC)CC(=O)O)CC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Phenols
      • Subclass: Methoxyphenols

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
5ON0	Download	Experimental	e5on0A1 e5on0A2 e5on0A3 e5on0B1 e5on0B2 e5on0B3	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
5ON9	Download	Experimental	e5on9A1 e5on9A2 e5on9A3 e5on9B1 e5on9B2 e5on9B3	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
5ON8	Download	Experimental	e5on8A1 e5on8A2 e5on8A3 e5on8B1 e5on8B2 e5on8B3	Periplasmic binding protein-like II Alpha-beta plaits Periplasmic binding protein-like II Alpha-beta plaits Periplasmic binding protein-like II Periplasmic binding protein-like II	LigPlot
5ON5	Download	Experimental	e5on5A1 e5on5A2 e5on5A3 e5on5B1 e5on5B2 e5on5B3	Alpha-beta plaits Periplasmic binding protein-like II Periplasmic binding protein-like II Alpha-beta plaits Periplasmic binding protein-like II Periplasmic binding protein-like II	LigPlot