Ligand name: 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
PDB ligand accession: 5AG
DrugBank: n/a
PubChem: 134131288
ChEMBL: CHEMBL3883576
InChI Key: HEZMFPGXYOAFRQ-HAXDFEGKSA-N
SMILES: C#Cc1cccc(c1)CCNC(=O)CSc2nc3c(ncnc3n2C4C(C(C(O4)CN=[N+]=[N-])O)O)N
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 Q8Y8D7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5DHS	Download	Experimental	e5dhsA1 e5dhsA2 e5dhsC1 e5dhsB1 e5dhsB2 e5dhsD1 e5dhsA1 e5dhsC1 e5dhsC2 e5dhsB1 e5dhsD1 e5dhsD2	NAD kinase beta sandwich domain-like Flavodoxin-like NAD kinase beta sandwich domain-like NAD kinase beta sandwich domain-like Flavodoxin-like NAD kinase beta sandwich domain-like NAD kinase beta sandwich domain-like NAD kinase beta sandwich domain-like Flavodoxin-like NAD kinase beta sandwich domain-like NAD kinase beta sandwich domain-like Flavodoxin-like	LigPlot