Ligand name: {[(2S)-3-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)propane-1,2-diyl]bis(oxyethane-2,1-diyl)}bis(phosphonic acid)
PDB ligand accession: 45T
DrugBank: n/a
PubChem: 91757950;135566952;
ChEMBL: n/a
InChI Key: KFMQQVHVLQIQPE-QMMMGPOBSA-N
SMILES: c1nc2c(n1CC(COCCP(=O)(O)O)OCCP(=O)(O)O)N=C(NC2=O)N
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 Q38CA1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6AQO	Download	Experimental	e6aqoA1 e6aqoB1 e6aqoC1 e6aqoD1 e6aqoE1 e6aqoF1	PRTase-like PRTase-like PRTase-like PRTase-like PRTase-like PRTase-like	LigPlot