Ligand name: 5-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
PDB ligand accession: B4B
DrugBank: n/a
PubChem: 60182388
ChEMBL: CHEMBL2385591
InChI Key: BBDGBGOVJPEFBT-UHFFFAOYSA-N
SMILES: c1cc(c2cccnc2c1)c3cnn4c3ncc(c4)c5ccc(cc5)N6CCNCC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein Q04771

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5OXG	Download	Experimental	e5oxgA1 e5oxgA1 e5oxgB1 e5oxgC1 e5oxgB1 e5oxgD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot