Ligand name: (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol
PDB ligand accession: BIG
DrugBank: DB07463
PubChem: 11393519
ChEMBL: CHEMBL1231347
InChI Key: LTSUEVPGSXUJHT-OLZOCXBDSA-N
SMILES: CCCCSCC1CN(CC1O)Cc2c[nH]c3c2ncnc3N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9KPI8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DP9	Download	Experimental	e3dp9A1 e3dp9C1	Phosphorylase/hydrolase-like Phosphorylase/hydrolase-like	LigPlot