Ligand name: 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
PDB ligand accession: 5A9
DrugBank: n/a
PubChem: 134129945
ChEMBL: CHEMBL3884982
InChI Key: JYGMOYIMZQWVHO-BGIGGGFGSA-N
SMILES: c1cc(cc(c1)Br)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
5DHT	Download	Experimental	e5dhtA1 e5dhtA2 e5dhtC2 e5dhtB1 e5dhtB2 e5dhtD1 e5dhtA1 e5dhtC1 e5dhtC2 e5dhtB2 e5dhtD1 e5dhtD2	NAD kinase beta sandwich domain-like Flavodoxin-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 NAD kinase beta sandwich domain-like Flavodoxin-like	LigPlot