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 Q61743

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6JB1	Download	Experimental	e6jb1A2 e6jb1G1 e6jb1G2 e6jb1A1 e6jb1A2 e6jb1C2 e6jb1C1 e6jb1C2 e6jb1E1 e6jb1E2 e6jb1E1 e6jb1E2 e6jb1G2	Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Voltage-gated ion channels	LigPlot
5YKG	Download	Experimental	e5ykgA2 e5ykgG1 e5ykgA1 e5ykgC1 e5ykgC2 e5ykgE1 e5ykgE2 e5ykgE1 e5ykgE2 e5ykgG1 e5ykgG2	Immunoglobulin-like beta-sandwich Voltage-gated ion channels Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Voltage-gated ion channels Immunoglobulin-like beta-sandwich	LigPlot
5YWA	Download	Experimental	e5ywaA2 e5ywaG1 e5ywaA1 e5ywaC2 e5ywaC1 e5ywaE1 e5ywaE2 e5ywaE1 e5ywaE2 e5ywaG1 e5ywaG2	Immunoglobulin-like beta-sandwich Voltage-gated ion channels Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich	LigPlot
5YKF	Download	Experimental	e5ykfA1 e5ykfC1 e5ykfC2 e5ykfE1 e5ykfE2 e5ykfE1 e5ykfE2 e5ykfG1 e5ykfG2	Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Voltage-gated ion channels Immunoglobulin-like beta-sandwich	LigPlot
5YW8	Download	Experimental	e5yw8A2 e5yw8C1 e5yw8C2 e5yw8E1 e5yw8E2 e5yw8E1 e5yw8E2 e5yw8G1 e5yw8G2 e5yw8A1 e5yw8G2	Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels	LigPlot
5YW9	Download	Experimental	e5yw9A2 e5yw9C2 e5yw9C1 e5yw9E1 e5yw9E2 e5yw9E1 e5yw9E2 e5yw9G1 e5yw9G2 e5yw9A1 e5yw9G1	Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Voltage-gated ion channels Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Voltage-gated ion channels	LigPlot