Ligand name: (3R,5R,9R)-1-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,5,9-trihydroxy-8,8-dimethyl-10,14,19,21-tetraoxo-2,4,6-trioxa-18-thia-11,15-diaza-3,5-diphosphatricosan-23-oic acid 3,5-dioxide (non-preferred name)
PDB ligand accession: B7X
DrugBank: n/a
PubChem: 86661434
ChEMBL: n/a
InChI Key: OYCNZOVOKFUQPU-CKRMAKSASA-N
SMILES: CC(C)(COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(=O)CC(=O)CC(=O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acyl thioesters

List of PDB structures and/or AlphaFold models with target protein A0A5S8WF54

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6J1N	Download	Experimental	e6j1nA1 e6j1nA2 e6j1nB2 e6j1nA1 e6j1nA2 e6j1nB1 e6j1nB2	Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like Thiolase-like	LigPlot