Ligand name: THEOPHYLLINE
PDB ligand accession: TEP
DrugBank: DB00277
PubChem: 2153
ChEMBL: CHEMBL190
InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N
SMILES: CN1c2c([nH]cn2)C(=O)N(C1=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of PDB structures and/or AlphaFold models with target protein Q8K4Z3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ROX	Download	Experimental	e3roxA1	Rossmann-like	LigPlot