Ligand name: 2-methyl-1-(4-{2-[1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-5-yl]-4,5-dihydro[1]benzoxepino[5,4-d][1,3]thiazol-8-yl}-1H-pyrazol-1-yl)propan-2-ol
PDB ligand accession: 1JV
DrugBank: n/a
PubChem: 67061712
ChEMBL: CHEMBL2381379
InChI Key: VRJUJTMBOARYOG-UHFFFAOYSA-N
SMILES: CC(C)(Cn1cc(cn1)c2ccc-3c(c2)OCCc4c3nc(s4)c5ncnn5CC(F)(F)F)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P48736

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4J6I	Download	Experimental	e4j6iA4	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot