Ligand name: XANTHINE
PDB ligand accession: XAN
DrugBank: DB02134
PubChem: 1188;5280342;
ChEMBL: CHEMBL1424
InChI Key: LRFVTYWOQMYALW-UHFFFAOYSA-N
SMILES: c1[nH]c2c(n1)C(=O)NC(=O)N2
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 O54051

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2W3S	Download	Experimental	e2w3sB2 e2w3sB4 e2w3sD2 e2w3sD4 e2w3sF2 e2w3sF4 e2w3sH2 e2w3sH4	MocoBD/DmpA-related MocoBD/DmpA-related MocoBD/DmpA-related MocoBD/DmpA-related MocoBD/DmpA-related MocoBD/DmpA-related MocoBD/DmpA-related MocoBD/DmpA-related	LigPlot