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 P36776

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7NFY	Download	Experimental	e7nfyA1 e7nfyA4 e7nfyB1 e7nfyB1 e7nfyB4 e7nfyC1 e7nfyC1 e7nfyC4 e7nfyD1 e7nfyD1 e7nfyD4 e7nfyE1 e7nfyE4 e7nfyF1 e7nfyF4	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 Histone-like P-loop domains-like Histone-like	LigPlot
7NGC	Download	Experimental	e7ngcA1 e7ngcA4 e7ngcB1 e7ngcB1 e7ngcB4 e7ngcC1 e7ngcC1 e7ngcC4 e7ngcD1 e7ngcE1 e7ngcE4 e7ngcA1 e7ngcF1 e7ngcF4	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 P-loop domains-like Histone-like	LigPlot