Ligand name: Theobromine
PDB ligand accession: 37T
DrugBank: DB01412
InChI Key: YAPQBXQYLJRXSA-UHFFFAOYSA-N
SMILES: Cn1cnc2c1C(=O)NC(=O)N2C
Drug action: antagonist

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 P30542

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
P30542	Download	Predicted	P30542_F1_nD1	Family A G protein-coupled receptor-like
5N2S		Predicted	e5n2sA1 e5n2sA2
5UEN		Predicted	e5uenA2 e5uenB2
6D9H		Predicted	e6d9hR1