Ligand name: ethyl 5-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-3,3-dimethyl-2-oxidanyl-butanoyl]amino]propanoylamino]pentanoate
PDB ligand accession: CAJ
DrugBank: n/a
PubChem: 137349077
ChEMBL: n/a
InChI Key: OMRRJLLNJAFEOX-ZMHDXICWSA-N
SMILES: CCOC(=O)CCCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(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 Q2FIA5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EMW	Download	Experimental	e4emwA8 e4emwA9 e4emwB7 e4emwA7 e4emwA8 e4emwA9 e4emwB8 e4emwB9	Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot