Ligand name: CAFFEINE
PDB ligand accession: CFF
DrugBank: DB00201
PubChem: 2519
ChEMBL: CHEMBL113
InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES: Cn1cnc2c1C(=O)N(C(=O)N2C)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 Q8A5J2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6UG4	Download	Experimental	e6ug4A1 e6ug4B1 e6ug4C1 e6ug4D1 e6ug4E1 e6ug4F1	RyR motifs RyR motifs RyR motifs RyR motifs RyR motifs RyR motifs	LigPlot