Ligand name: 5'-({[(2R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}propyl]sulfonyl}amino)-5'-deoxyadenosine
PDB ligand accession: MJ8
DrugBank: n/a
PubChem: 126961715
ChEMBL: n/a
InChI Key: AKPDLNPLPXRYTO-XGVFZYDCSA-N
SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CN)CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: 5'-deoxyribonucleosides
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A0A0F6BHX2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5U89	Download	Experimental	e5u89A1 e5u89A7	CoA-dependent acyltransferases ACP-like	LigPlot