Ligand name: (3S)-3-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-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]-3-oxidanyl-butanoic acid
PDB ligand accession: 2KQ
DrugBank: n/a
PubChem: 73254852
ChEMBL: n/a
InChI Key: FIZPFHAKAOWUQH-RCVSXOLZSA-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(C)(CC(=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 C5AJX5

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4NNC	Download	Experimental	e4nncA3 e4nncA4 e4nncA5	Oxalate Biosynthetic Component A (ObcA) insertion domains TIM beta/alpha-barrel Oxalate Biosynthetic Component A (ObcA) insertion domains	LigPlot