Ligand name: 2-amino-6-bromo-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PDB ligand accession: JU2
DrugBank: n/a
PubChem: 25113140;135566497;
ChEMBL: CHEMBL567352
InChI Key: ZIMIZZXLWCGECW-UHFFFAOYSA-N
SMILES: C(#N)c1c2c([nH]c1Br)N=C(NC2=O)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
3JQC	Download	Experimental	e3jqcA1 e3jqcB1 e3jqcC1 e3jqcD1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot