Ligand name: 2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
PDB ligand accession: DX6
DrugBank: n/a
PubChem: 11736910;135531129;
ChEMBL: CHEMBL567351
InChI Key: GPZHVIFHNQJWLA-UHFFFAOYSA-N
SMILES: c1ccc(cc1)CCc2c[nH]c3c2C(=O)NC(=N3)N
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 Q581W1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3JQB	Download	Experimental	e3jqbA1 e3jqbB1 e3jqbC1	Rossmann-like Rossmann-like Rossmann-like	LigPlot