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 Q79PF4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4TL8	Download	Experimental	e4tl8A1 e4tl8B1 e4tl8B1 e4tl8C1 e4tl8C1 e4tl8D1 e4tl8D1 e4tl8E1 e4tl8E1 e4tl8F1 e4tl8A1 e4tl8F1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like 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
4TLD	Download	Experimental	e4tldA1 e4tldB1 e4tldB1 e4tldC1 e4tldC1 e4tldD1 e4tldD1 e4tldE1 e4tldE1 e4tldF1 e4tldA1 e4tldF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like 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
4TLE	Download	Experimental	e4tleA1 e4tleB1 e4tleB1 e4tleC1 e4tleC1 e4tleD1 e4tleD1 e4tleE1 e4tleE1 e4tleF1 e4tleA1 e4tleF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like 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
4TL9	Download	Experimental	e4tl9A1 e4tl9B1 e4tl9B1 e4tl9C1 e4tl9C1 e4tl9D1 e4tl9D1 e4tl9E1 e4tl9E1 e4tl9F1 e4tl9A1 e4tl9F1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like 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
4TLB	Download	Experimental	e4tlbA1 e4tlbB1 e4tlbB1 e4tlbC1 e4tlbC1 e4tlbD1 e4tlbD1 e4tlbE1 e4tlbE1 e4tlbF1 e4tlbA1 e4tlbF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like 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
4TLC	Download	Experimental	e4tlcA1 e4tlcB1 e4tlcB1 e4tlcC1 e4tlcC1 e4tlcD1 e4tlcD1 e4tlcE1 e4tlcE1 e4tlcF1 e4tlcA1 e4tlcF1	P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like P-loop domains-like 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