Ligand name: Theophylline
PDB ligand accession: TEP
DrugBank: DB00277
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 Q99829

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q99829	Download	Predicted	Q99829_F1_nD3 Q99829_F1_nD2 Q99829_F1_nD1	HAD domain-related Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich