Ligand name: N-[3-({4-[4-(4-fluorophenyl)-2-(methylsulfanyl)-1H-imidazol-5-yl]pyridin-2-yl}amino)-4-methoxyphenyl]propanamide
PDB ligand accession: QQJ
DrugBank: n/a
PubChem: 137654533
ChEMBL: CHEMBL4094927
InChI Key: MALZDUNFVXBWQG-UHFFFAOYSA-N
SMILES: CCC(=O)Nc1ccc(c(c1)Nc2cc(ccn2)c3c(nc([nH]3)SC)c4ccc(cc4)F)OC
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6V6K	Download	Experimental	e6v6kD1 e6v6kA1 e6v6kB1 e6v6kC1 e6v6kE1 e6v6kF1 e6v6kG1 e6v6kH1	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 Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6VHN	Download	Experimental	e6vhnA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot