Ligand name: 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
PDB ligand accession: 5AK
DrugBank: n/a
PubChem: 121596324
ChEMBL: CHEMBL3883980
InChI Key: WJGLUXUMEHFNOZ-BGIGGGFGSA-N
SMILES: c1cc(cc(c1)Br)CCNC(=O)CSc2nc3c(ncnc3n2C4C(C(C(O4)CO)O)O)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: Purine nucleosides
      • 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
5DHQ	Download	Experimental	e5dhqA1 e5dhqA2 e5dhqC2 e5dhqB1 e5dhqB2 e5dhqD2 e5dhqA1 e5dhqC1 e5dhqC2 e5dhqB2 e5dhqD1 e5dhqD2	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 Flavodoxin-like NAD kinase beta sandwich domain-like	LigPlot