Ligand name: 5'-S-(3-{[(3R)-1,2,3,4-tetrahydroisoquinolin-3-ylcarbonyl]amino}propyl)-5'-thioadenosine
PDB ligand accession: 2D5
DrugBank: n/a
PubChem: 78673837
ChEMBL: n/a
InChI Key: HMZSUDMWDJASBZ-AXKRAVOISA-N
SMILES: c1ccc2c(c1)CC(NC2)C(=O)NCCCSCC3C(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
4MQ4	Download	Experimental	e4mq4A1 e4mq4B1	Rossmann-like Rossmann-like	LigPlot