Ligand name: 2-amino-6-(1,3-benzodioxol-5-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PDB ligand accession: AX1
DrugBank: n/a
PubChem: 25113143;135566496;
ChEMBL: CHEMBL568414
InChI Key: LODZVZHIOMSXPI-UHFFFAOYSA-N
SMILES: c1cc2c(cc1c3c(c4c([nH]3)N=C(NC4=O)N)C#N)OCO2
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzodioxoles
      • Subclass: None

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
3JQ9	Download	Experimental	e3jq9A1 e3jq9D1 e3jq9B1 e3jq9C1	Rossmann-like Rossmann-like Rossmann-like Rossmann-like	LigPlot