Ligand name: Caffeine
PDB ligand accession: CFF
DrugBank: DB00201
InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N
SMILES: Cn1cnc2c1C(=O)N(C(=O)N2C)C
Drug action: inhibitor

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 P42338

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P42338	Download	Predicted	P42338_F1_nD4 P42338_F1_nD3 P42338_F1_nD1 P42338_F1_nD2	Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins beta-Grasp Immunoglobulin-like beta-sandwich