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 A0A0H1ZSM1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ETS	Download	Experimental	e5etsB1 e5etsA1 e5etsA1	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot
5ETV	Download	Experimental	e5etvA1	Alpha-beta plaits	LigPlot
5ETT	Download	Experimental	e5ettB1 e5ettA1	Alpha-beta plaits Alpha-beta plaits	LigPlot
5ETR	Download	Experimental	e5etrB1 e5etrA1	Alpha-beta plaits Alpha-beta plaits	LigPlot
5ETQ	Download	Experimental	e5etqA1 e5etqB1 e5etqB1	Alpha-beta plaits Alpha-beta plaits Alpha-beta plaits	LigPlot