Ligand name: 6-ethyl-2,5-dimethyl-7-oxidanylidene-4~{H}-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PDB ligand accession: 6X9
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL4469878
InChI Key: ZCAHZFVKTFERAJ-UHFFFAOYSA-N
SMILES: CCC1=C(Nc2c(c(nn2C1=O)C)C#N)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[1,5-a]pyrimidines

List of PDB structures and/or AlphaFold models with target protein Q9H3R0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KR7	Download	Experimental	e5kr7A1 e5kr7B1	jelly-roll jelly-roll	LigPlot