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 V2RJ62

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RN3	Download	Experimental	e6rn3A3 e6rn3A4 e6rn3F2 e6rn3A1 e6rn3A2 e6rn3B2 e6rn3B4 e6rn3B4 e6rn3C2 e6rn3C4 e6rn3C2 e6rn3D2 e6rn3D3 e6rn3D3 e6rn3E1 e6rn3E4	Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot
6RN4	Download	Experimental	e6rn4A2 e6rn4A3 e6rn4F2 e6rn4B2 e6rn4B3 e6rn4B2 e6rn4C2 e6rn4C3 e6rn4C3 e6rn4D3 e6rn4D4 e6rn4D4 e6rn4E1 e6rn4E3 e6rn4F1 e6rn4F3	Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like	LigPlot
6RN2	Download	Experimental	e6rn2A1 e6rn2A3 e6rn2F3 e6rn2A2 e6rn2A4 e6rn2B1 e6rn2B2 e6rn2B2 e6rn2C2 e6rn2C3 e6rn2C3 e6rn2D3 e6rn2D4 e6rn2D4 e6rn2E2 e6rn2E3	Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like	LigPlot