Ligand name: 5'-O-[(S)-({(2S)-2-amino-6-[(propoxycarbonyl)amino]hexanoyl}oxy)(hydroxy)phosphoryl]adenosine
PDB ligand accession: AYB
DrugBank: n/a
PubChem: 25113129
ChEMBL: n/a
InChI Key: FNGSPKAFCIGHDI-URQYDQELSA-N
SMILES: CCCOC(=O)NCCCCC(C(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)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 Q8PWY1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2ZIO	Download	Experimental	e2zioA1	Class II aaRS and biotin synthetases	LigPlot