Ligand name: [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate
PDB ligand accession: 01K
DrugBank: n/a
PubChem: 23727984
ChEMBL: n/a
InChI Key: YGZKIOPJGFQDSR-VLHHDIFDSA-N
SMILES: CC(=O)NC(CCCCNC(=O)CSCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C(=O)N
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 Q09472

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6GYR	Download	Experimental	e6gyrA1 e6gyrB2 e6gyrD4 e6gyrC4	Nat/Ivy Nat/Ivy Nat/Ivy Nat/Ivy	LigPlot
3BIY	Download	Experimental	e3biyA1	Nat/Ivy	LigPlot
4BHW	Download	Experimental	e4bhwA4 e4bhwB4	Nat/Ivy Nat/Ivy	LigPlot