Ligand name: 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
PDB ligand accession: 5AJ
DrugBank: n/a
PubChem: 134130891
ChEMBL: CHEMBL3883775
InChI Key: QNDDYPVSXWRDOZ-QQRWZLOUSA-N
SMILES: c1ccc2c(c1)[nH]c(n2)CCNC(=O)CSc3nc4c(ncnc4n3C5C(C(C(O5)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
5DHR	Download	Experimental	e5dhrA1 e5dhrA2 e5dhrC1 e5dhrB1 e5dhrB2 e5dhrD2 e5dhrA2 e5dhrC1 e5dhrC2 e5dhrB1 e5dhrD1 e5dhrD2	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 NAD kinase beta sandwich domain-like Flavodoxin-like NAD kinase beta sandwich domain-like	LigPlot