Ligand name: 5-{2-[3-(methoxycarbonyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
PDB ligand accession: W85
DrugBank: n/a
PubChem: 73167555
ChEMBL: CHEMBL3990251
InChI Key: RTLRPYDATNEMNB-UHFFFAOYSA-N
SMILES: COC(=O)c1cccc(c1)CCC2=C(NC(=O)NC2=O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q4D3W2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3W85	Download	Experimental	e3w85A1 e3w85B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot