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 Q8IIJ8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6E10	Download	Experimental	e6e1011 e6e1013 e6e1011 e6e1023 e6e1024 e6e1024 e6e1031 e6e1032 e6e1042 e6e1044 e6e1051 e6e1054 e6e1041 e6e1052 e6e1053 e6e1053 e6e1061 e6e1062	Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like	LigPlot
6E11	Download	Experimental	e6e1113 e6e1114 e6e1114 e6e1121 e6e1122 e6e1122 e6e1132 e6e1134 e6e1141 e6e1143 e6e1141 e6e1152 e6e1153 e6e1153 e6e1163 e6e1164	P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like P-loop domains-like Histone-like Histone-like Histone-like P-loop domains-like	LigPlot