Ligand name: [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate
PDB ligand accession: 25L
DrugBank: n/a
PubChem: 503593
ChEMBL: CHEMBL404038
InChI Key: RTAGLZBJCCVJET-UQTMIEBXSA-N
SMILES: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OC4C(C(OC4n5cnc6c5ncnc6N)COP(=O)(O)OC7C(C(OC7n8cnc9c8ncnc9N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)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 A5H025

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6M12	Download	Experimental	e6m12a2 e6m12b2 e6m12b3 e6m12a1 e6m12a2 e6m12b3	Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
4O1P	Download	Experimental	e4o1pA3 e4o1pB2 e4o1pB3 e4o1pA2 e4o1pA3 e4o1pB3 e4o1pC1 e4o1pD2 e4o1pD3 e4o1pC1 e4o1pC2 e4o1pD3	Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins	LigPlot
6M13	Download	Experimental	e6m13a2 e6m13b1 e6m13b2 e6m13a2 e6m13a3 e6m13b1	Repetitive alpha hairpins Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins	LigPlot
4O1O	Download	Experimental	e4o1oA3 e4o1oB2 e4o1oB3 e4o1oA2 e4o1oA3 e4o1oB3 e4o1oC3 e4o1oD2 e4o1oD3 e4o1oC2 e4o1oC3 e4o1oD3	Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Repetitive alpha hairpins Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot
7ELW	Download	Experimental	e7elwa1 e7elwb1 e7elwb2 e7elwa1 e7elwa2 e7elwb1	Repetitive alpha hairpins Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins Protein kinase/SAICAR synthase/ATP-grasp Repetitive alpha hairpins	LigPlot