Ligand name: PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
PDB ligand accession: A12
DrugBank: DB03148
PubChem: 92199
ChEMBL: CHEMBL583969
InChI Key: OLCWZBFDIYXLAA-IOSLPCCCSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleotides
      • Subclass: Purine ribonucleotides

List of PDB structures and/or AlphaFold models with target protein Q5NGE8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MAM	Download	Experimental	e4mamA3 e4mamA4 e4mamB1	alpha/beta-Hammerhead/Barrel-sandwich hybrid Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot