Ligand name: 5-[2-(4-tert-butylphenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylic acid
PDB ligand accession: 2RO
DrugBank: n/a
PubChem: 71819699
ChEMBL: CHEMBL3990817
InChI Key: SSILBIHZUGTHHN-UHFFFAOYSA-N
SMILES: CC(C)(C)c1ccc(cc1)CCC2=C(NC(=O)NC2=O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine 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
3W22	Download	Experimental	e3w22A1 e3w22B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot