Ligand name: 3,3,3-tris(fluoranyl)-1-[4-[(1~{R})-1-[2-[[(2~{S})-5-(5-propan-2-yloxypyrimidin-4-yl)-2,3-dihydro-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]propan-1-one
PDB ligand accession: KJB
DrugBank: n/a
PubChem: 146018683
ChEMBL: n/a
InChI Key: PETZDHZEDSUUQC-CLYVBNDRSA-N
SMILES: CC(C)Oc1cncnc1c2ccc3c(c2)NC(N3)Nc4cc(ccn4)C(C)N5CCN(CC5)C(=O)CC(F)(F)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzimidazoles
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein Q9UHD2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6RSU	Download	Experimental	e6rsuA3	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot