Ligand name: 4-azanyl-6-[[(1~{S})-1-(6-fluoranyl-3-phenyl-4-piperazin-1-ylcarbonyl-quinolin-2-yl)ethyl]amino]pyrimidine-5-carbonitrile
PDB ligand accession: 6RF
DrugBank: n/a
PubChem: 49872646
ChEMBL: CHEMBL4449576
InChI Key: QPRMAEKTXODJGJ-INIZCTEOSA-N
SMILES: CC(c1c(c(c2cc(ccc2n1)F)C(=O)N3CCNCC3)c4ccccc4)Nc5c(c(ncn5)N)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Quinolines and derivatives
      • Subclass: Phenylquinolines

List of PDB structures and/or AlphaFold models with target protein P48736

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KAE	Download	Experimental	e5kaeA3	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot