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 Q15645

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6F0X	Download	Experimental	e6f0xB2 e6f0xA1 e6f0xA2 e6f0xB2 e6f0xB3 e6f0xC2 e6f0xC1 e6f0xC2 e6f0xD2 e6f0xD1 e6f0xD2 e6f0xE1 e6f0xE3 e6f0xE1 e6f0xE3 e6f0xF1	P-loop domains-like P-loop domains-like Histone-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 Histone-like P-loop domains-like	LigPlot
7L9P	Download	Experimental	e7l9pB2 e7l9pA1 e7l9pA2 e7l9pB1 e7l9pB2 e7l9pC1 e7l9pC1 e7l9pC2 e7l9pD2 e7l9pD2 e7l9pD3 e7l9pE1 e7l9pE2 e7l9pE1 e7l9pE2 e7l9pF2	P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like P-loop domains-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like Histone-like Histone-like P-loop domains-like Histone-like P-loop domains-like P-loop domains-like	LigPlot