Ligand name: 1-[4-[(1~{R})-1-[2-[[5-[1-(cyclopropylmethyl)pyrazol-4-yl]-1~{H}-benzimidazol-2-yl]amino]pyridin-4-yl]ethyl]piperazin-1-yl]-3,3,3-tris(fluoranyl)propan-1-one
PDB ligand accession: KHQ
DrugBank: n/a
PubChem: 145714274
ChEMBL: CHEMBL4435393
InChI Key: WEFRCKPVMWDRAK-GOSISDBHSA-N
SMILES: CC(c1ccnc(c1)Nc2[nH]c3ccc(cc3n2)c4cnn(c4)CC5CC5)N6CCN(CC6)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
6RST	Download	Experimental	e6rstA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot