Ligand name: 2-amino-6-(4-methoxyphenyl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PDB ligand accession: DX8
DrugBank: n/a
PubChem: 25113142;135566499;
ChEMBL: CHEMBL577934
InChI Key: XIQVXNJSPIMGQQ-UHFFFAOYSA-N
SMILES: COc1ccc(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
3JQE	Download	Experimental	e3jqeA1 e3jqeD1 e3jqeB1 e3jqeC1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot