Ligand name: 5'-deoxy-5'-({[(2R)-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-2-(3-hydroxyphenyl)ethyl]sulfonyl}amino)adenosine
PDB ligand accession: QXD
DrugBank: n/a
PubChem: 146171273
ChEMBL: n/a
InChI Key: ADMPPCCGBBJHMD-XCYBABBZSA-N
SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)c4cccc(c4)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 A0A2U4DY99

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VHY	Download	Experimental	e6vhyA3 e6vhyA5 e6vhyC1 e6vhyC2 e6vhyC3 e6vhyB5 e6vhyD1 e6vhyD2 e6vhyD3 e6vhyA1 e6vhyA2 e6vhyA3 e6vhyC5 e6vhyB1 e6vhyB3 e6vhyB4 e6vhyD2	Rossmann-like domain in Acetyl-CoA synthetase-like proteins ACP-like beta-barrel domain in acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins ACP-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins beta-barrel domain in acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like Rossmann-like domain in Acetyl-CoA synthetase-like proteins ACP-like Alpha-lytic protease prodomain-like beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins Alpha-lytic protease prodomain-like	LigPlot