Ligand name: 2-{[4-(5-ethylpyrimidin-4-yl)piperazin-1-yl]methyl}-5-(trifluoromethyl)-1H-benzimidazole
PDB ligand accession: 5FI
DrugBank: n/a
PubChem: 51371303
ChEMBL: CHEMBL2134202
InChI Key: FBLPQCAQRNSVHB-UHFFFAOYSA-N
SMILES: CCc1cncnc1N2CCN(CC2)Cc3[nH]c4ccc(cc4n3)C(F)(F)F
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 Q7Z721

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4L3J	Download	Experimental	e4l3jA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4L3L	Download	Experimental	e4l3lA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4L45	Download	Experimental	e4l45A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4L43	Download	Experimental	e4l43A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4L44	Download	Experimental	e4l44A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4L46	Download	Experimental	e4l46A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
4L42	Download	Experimental	e4l42A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot