Ligand name: [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] 2-methyl-2-oxidanyl-propanoate
PDB ligand accession: 8LE
DrugBank: n/a
PubChem: 138857891
ChEMBL: n/a
InChI Key: WJCYMTFWIDDQPQ-WOUKDFQISA-N
SMILES: CC(C)(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O
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 I3VE75

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HE2	Download	Experimental	e6he2A1 e6he2A2 e6he2A3 e6he2B1 e6he2B2 e6he2B3	beta-barrel domain in acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like	LigPlot
6HDW	Download	Experimental	e6hdwA1 e6hdwA2 e6hdwA3	Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins	LigPlot
6HE0	Download	Experimental	e6he0A1 e6he0A2 e6he0A3	Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins beta-barrel domain in acetyl-CoA synthetase-like proteins	LigPlot