Ligand name: 9-{5-S-[2-({[(3S)-7-nitro-1,2,3,4-tetrahydroisoquinolin-3-yl]methyl}amino)ethyl]-5-thio-alpha-L-lyxofuranosyl}-9H-purin-6-amine
PDB ligand accession: JIL
DrugBank: n/a
PubChem: 77232199
ChEMBL: n/a
InChI Key: XTRSLZMJUJDRCM-RWAFIUBPSA-N
SMILES: c1cc2c(cc1[N+](=O)[O-])CNC(C2)CNCCSCC3C(C(C(O3)n4cnc5c4ncnc5N)O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Nucleosides, nucleotides, and analogues
    • Class: 5'-deoxyribonucleosides
      • Subclass: 5'-deoxy-5'-thionucleosides

List of PDB structures and/or AlphaFold models with target protein P11086

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4MIK	Download	Experimental	e4mikA1 e4mikB1	Rossmann-like Rossmann-like	LigPlot