Ligand name: [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-piperazin-4-ium-1-yl-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid
PDB ligand accession: O05
DrugBank: n/a
PubChem: 145946098
ChEMBL: n/a
InChI Key: GUHCLCYLXMLIOC-IDTAVKCVSA-O
SMILES: c1nc2c(nc(nc2n1C3C(C(C(O3)COP(=O)(CP(=O)(O)O)O)O)O)N4CC[NH2+]CC4)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 P21589

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6TWF	Download	Experimental	e6twfA1 e6twfA2	5'-nucleotidase (syn. UDP-sugar hydrolase), C-terminal domain Carbon-nitrogen hydrolase-like	LigPlot