Ligand name: 4-[5-[2-(2-hydroxyethyloxy)ethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]-2-oxidanyl-benzoic acid
PDB ligand accession: PQ8
DrugBank: n/a
PubChem: n/a
ChEMBL: CHEMBL4793819
InChI Key: DBCKRCZJYUIKNW-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)N(CCOCCO)c1ccn2c(n1)c(cn2)c3ccc(c(c3)O)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6YUM	Download	Experimental	e6yumAAA1 e6yumGGG1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot