Ligand name: 5'-O-[(11-phenoxyundecanoyl)sulfamoyl]adenosine
PDB ligand accession: 649
DrugBank: n/a
PubChem: 118987041
ChEMBL: CHEMBL4784453
InChI Key: VLRIGNDIFPKPGQ-ZCIWVVNKSA-N
SMILES: c1ccc(cc1)OCCCCCCCCCCC(=O)NS(=O)(=O)OCC2C(C(C(O2)n3cnc4c3ncnc4N)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleosides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A0R618

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5ICR	Download	Experimental	e5icrA1 e5icrA2 e5icrA4 e5icrB1 e5icrB3 e5icrB4 e5icrC1 e5icrC2 e5icrC3 e5icrD1 e5icrD2 e5icrD3	beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins beta-barrel domain in acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like	LigPlot