Ligand name: (3R)-1-(2-oxo-2-{4-[4-(pyrimidin-2-yl)phenyl]piperazin-1-yl}ethyl)-N-[3-(pyridin-4-yl)-2H-indazol-5-yl]pyrrolidine-3-carboxamide
PDB ligand accession: 38Z
DrugBank: n/a
PubChem: 24866313
ChEMBL: CHEMBL3590107
InChI Key: HDAJDNHIBCDLQF-RUZDIDTESA-N
SMILES: c1cnc(nc1)c2ccc(cc2)N3CCN(CC3)C(=O)CN4CCC(C4)C(=O)Nc5ccc6c(c5)c([nH]n6)c7ccncc7
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein Q8TF76

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4QTC	Download	Experimental	e4qtcA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot