Ligand name: 2-amino-4-oxo-6-phenyl-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PDB ligand accession: DX7
DrugBank: n/a
PubChem: 25113141;135566498;
ChEMBL: CHEMBL578160
InChI Key: VQYNAWQVXOOXHS-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2c(c3c([nH]2)N=C(NC3=O)N)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

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
3JQD	Download	Experimental	e3jqdA1 e3jqdB1 e3jqdC1 e3jqdD1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot