Ligand name: 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE
PDB ligand accession: LI9
DrugBank: n/a
PubChem: 5326958
ChEMBL: CHEMBL1184822
InChI Key: OYTOWRNFVUUVHK-SFHVURJKSA-N
SMILES: CC(c1ccccc1)Nc2nccc(n2)C3=C(C(=O)N(N3C)C4CCNCC4)c5ccc(cc5)F
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 P47811

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1YWR	Download	Experimental	e1ywrA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot