Ligand name: palmitoyl adenylate
PDB ligand accession: 1TF
DrugBank: n/a
PubChem: 11135653
ChEMBL: n/a
InChI Key: CMRDSXPYXCUXMI-VJUOEERUSA-N
SMILES: CCCCCCCCCCCCCCCC(=O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)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 B1XKC6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7R7G	Download	Experimental	e7r7gA2 e7r7gA3 e7r7gA4 e7r7gB1 e7r7gB2 e7r7gB3	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 beta-barrel domain in acetyl-CoA synthetase-like proteins	LigPlot