Ligand name: PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER
PDB ligand accession: AGS
DrugBank: DB02930
PubChem: 440317;444377;
ChEMBL: CHEMBL131890
InChI Key: NLTUCYMLOPLUHL-KQYNXXCUSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=S)(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 Q9I0M3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2IUT	Download	Experimental	e2iutA1 e2iutA2 e2iutB1 e2iutB2 e2iutA1 e2iutA2 e2iutB2	P-loop domains-like Alpha-beta plaits Alpha-beta plaits P-loop domains-like P-loop domains-like Alpha-beta plaits P-loop domains-like	LigPlot
6T8B	Download	Experimental	e6t8bA2 e6t8bF2 e6t8bA2 e6t8bB2 e6t8bB2 e6t8bC1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot