Ligand name: 5'-([(3S)-3-amino-3-carboxypropyl]{3-[(4R)-7,8-dichloro-1,2,3,4-tetrahydroisoquinolin-4-yl]propyl}amino)-5'-deoxyadenosine
PDB ligand accession: U87
DrugBank: n/a
PubChem: 154572002
ChEMBL: n/a
InChI Key: LJUSEDZPCVZRMF-RYHYOYCJSA-N
SMILES: c1cc(c(c2c1C(CNC2)CCCN(CCC(C(=O)O)N)CC3C(C(C(O3)n4cnc5c4ncnc5N)O)O)Cl)Cl
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 P11086

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6WS1	Download	Experimental	e6ws1B1	Rossmann-like	LigPlot