Ligand name: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER
PDB ligand accession: APC
DrugBank: DB02596
PubChem: 91557
ChEMBL: CHEMBL132722
InChI Key: CAWZRIXWFRFUQB-IOSLPCCCSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(CP(=O)(O)OP(=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 Q8RQE9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2O5J	Download	Experimental	e2o5jD3 e2o5jD2 e2o5jC6 e2o5jC9 e2o5jD5 e2o5jD4 e2o5jN9 e2o5jN17 e2o5jN18 e2o5jN20 e2o5jM6 e2o5jM9 e2o5jM4	cradle loop barrel first helical domain in RNA-polymerase beta-prime subunit barrel domain in beta subunit of DNA dependent RNA-polymerase cradle loop barrel central helical domain in RNA-polymerase beta-prime subunit second helical domain in RNA-polymerase beta-prime subunit cradle loop barrel central helical domain in RNA-polymerase beta-prime subunit first helical domain in RNA-polymerase beta-prime subunit second helical domain in RNA-polymerase beta-prime subunit barrel domain in beta subunit of DNA dependent RNA-polymerase cradle loop barrel N-terminal domain in beta subunit of DNA dependent RNA-polymerase	LigPlot
2PPB	Download	Experimental	e2ppbC6 e2ppbC9 e2ppbD5 e2ppbD6 e2ppbD9 e2ppbC4 e2ppbN2 e2ppbN35 e2ppbN41 e2ppbM6 e2ppbM9 e2ppbM4	barrel domain in beta subunit of DNA dependent RNA-polymerase cradle loop barrel second helical domain in RNA-polymerase beta-prime subunit first helical domain in RNA-polymerase beta-prime subunit cradle loop barrel N-terminal domain in beta subunit of DNA dependent RNA-polymerase cradle loop barrel first helical domain in RNA-polymerase beta-prime subunit second helical domain in RNA-polymerase beta-prime subunit barrel domain in beta subunit of DNA dependent RNA-polymerase cradle loop barrel N-terminal domain in beta subunit of DNA dependent RNA-polymerase	LigPlot