Ligand name: ~{S}-[2-[3-[[(2~{R})-4-[[[(2~{S},3~{R},4~{S},5~{R})-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]ethyl] butanethioate
PDB ligand accession: YAS
DrugBank: n/a
PubChem: 145997877
ChEMBL: n/a
InChI Key: CRFNGMNYKDXRTN-JSFVJHESSA-N
SMILES: CCCC(=O)SCCNC(=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: Lipids and lipid-like molecules
    • Class: Fatty Acyls
      • Subclass: Fatty acyl thioesters

List of PDB structures and/or AlphaFold models with target protein E4N096

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6NA4	Download	Experimental	e6na4A1 e6na4A2 e6na4C1 e6na4B1 e6na4B2 e6na4D2	Rossmann-like GroES-like Rossmann-like Rossmann-like GroES-like Rossmann-like	LigPlot