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

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: S-alkyl-CoAs
      • Subclass: None

List of proteins that are targets for 2KQ

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	C5AJX5_2KQ	C5AJX5	n/a