Ligand name: 5-{2-[3,5-bis(trifluoromethyl)phenyl]ethyl}-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
PDB ligand accession: ROU
DrugBank: n/a
PubChem: 72193889
ChEMBL: CHEMBL3990077
InChI Key: STCWNIVPPBDNGW-UHFFFAOYSA-N
SMILES: c1c(cc(cc1C(F)(F)F)C(F)(F)F)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: Trifluoromethylbenzenes

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
3W2U	Download	Experimental	e3w2uA1 e3w2uB1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot