Ligand name: 5'-({[(2R,3S)-3-amino-4-hydroxy-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}butyl]sulfonyl}amino)-5'-deoxyadenosine
PDB ligand accession: 75C
DrugBank: n/a
PubChem: 121596337
ChEMBL: n/a
InChI Key: ISNNGRBZFMWGAL-DROAMXOMSA-N
SMILES: CC(C)(COP(=O)(O)O)C(C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1C(C(C(O1)n2cnc3c2ncnc3N)O)O)C(CO)N)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 P11454

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5JA2	Download	Experimental	e5ja2A6 e5ja2A7 e5ja2A8 e5ja2A9	Alpha-lytic protease prodomain-like ACP-like beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot
5JA1	Download	Experimental	e5ja1A6 e5ja1A7 e5ja1A8 e5ja1A9	Alpha-lytic protease prodomain-like ACP-like beta-barrel domain in acetyl-CoA synthetase-like proteins Rossmann-like domain in Acetyl-CoA synthetase-like proteins	LigPlot
5T3D	Download	Experimental	e5t3dA3 e5t3dA4 e5t3dA5 e5t3dA7	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	LigPlot