Ligand name: 1-[5-methyl-2-(trifluoromethyl)furan-3-yl]-3-[(2Z)-5-(2-{[6-(1H-1,2,4-triazol-3-ylamino)pyrimidin-4-yl]amino}ethyl)-1,3-thiazol-2(3H)-ylidene]urea
PDB ligand accession: FRS
DrugBank: DB07789
PubChem: 24875313
ChEMBL: CHEMBL1092830
InChI Key: KNTGXMNWVXZIMW-UHFFFAOYSA-N
SMILES: Cc1cc(c(o1)C(F)(F)F)NC(=O)N=C2NC=C(S2)CCNc3cc(ncn3)Nc4nc[nH]n4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein Q4KMI8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3DB6	Download	Experimental	e3db6A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot