Ligand name: (R)-3-(4-BROMOBENZYLTHIO)-2-(3-(3-((2,4-DIFLUOROPHENYL)ETHYNYL)BENZOYL)-3-PROPYLUREIDO)PROPANOIC ACID
PDB ligand accession: X0R
DrugBank: n/a
PubChem: 72715984
ChEMBL: CHEMBL3125476
InChI Key: WDPWVHPOPPOGPB-SANMLTNESA-N
SMILES: CCCN(C(=O)c1cccc(c1)C#Cc2ccc(cc2F)F)C(=O)NC(CSCc3ccc(cc3)Br)C(=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 Q07817

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4C5D	Download	Experimental	e4c5dA1 e4c5dB1	Toxins' membrane translocation domains Toxins' membrane translocation domains	LigPlot