Ligand name: 3-(PROPYLSULFONYL)PROPANOIC ACID
PDB ligand accession: X1R
DrugBank: n/a
PubChem: 24711440
ChEMBL: n/a
InChI Key: MVRIMOMHOJBOKT-UHFFFAOYSA-N
SMILES: CCCS(=O)(=O)CCC(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Sulfonyls
      • Subclass: Sulfones

List of PDB structures and/or AlphaFold models with target protein P04789

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2X1R	Download	Experimental	e2x1rA1 e2x1rB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot