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 Q1R3B6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2YNJ	Download	Experimental	e2ynjA1 e2ynjB1 e2ynjC1 e2ynjD1 e2ynjE1 e2ynjF1 e2ynjG1 e2ynjH1 e2ynjI1 e2ynjJ1 e2ynjK1 e2ynjL1 e2ynjM1 e2ynjN1	GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like	LigPlot
3E76	Download	Experimental	e3e76A1 e3e76B1 e3e76C1 e3e76D1 e3e76E1 e3e76F1 e3e76G1 e3e76H1 e3e76I1 e3e76J1 e3e76K1 e3e76L1 e3e76M1 e3e76N1	GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like GroEL equatorial domain-like	LigPlot