Ligand name: 2-amino-5-({[(1S,4S,5R)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
PDB ligand accession: QEI
DrugBank: DB14732
PubChem: 114881;5280439;135398670;
ChEMBL: n/a
InChI Key: WYROLENTHWJFLR-ACLDMZEESA-N
SMILES: c1c(c2c([nH]1)N=C(NC2=O)N)CNC3C=CC(C3O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: Pyrrolo[2,3-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein Q9BXR0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6H45	Download	Experimental	e6h45A1 e6h45B1	TIM beta/alpha-barrel TIM beta/alpha-barrel	LigPlot