Ligand name: (2~{S})-2-[2-[3-[[(2~{R})-4-[[[(2~{R},3~{S},4~{R},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]ethylsulfanyl]propanoic acid
PDB ligand accession: 8HB
DrugBank: n/a
PubChem: 137348713
ChEMBL: n/a
InChI Key: ULCSPOREAVNZTJ-IBNUZSNCSA-N
SMILES: CC(C(=O)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: S-alkyl-CoAs
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A8QZK6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5N22	Download	Experimental	e5n22A1 e5n22B1 e5n22C1 e5n22D1	Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy	LigPlot
5N1W	Download	Experimental	e5n1wB1 e5n1wA1	Nat/Ivy Nat/Ivy	LigPlot