Ligand name: 4-(2-AMINO-5-{4-[(DIMETHYLAMINO)METHYL]THIOPHEN-2-YL}PYRIDIN-3-YL)-2-{(1R)-1-[2-(TRIFLUOROMETHYL)PHENYL]ETHOXY}BENZAMIDE
PDB ligand accession: JUP
DrugBank: n/a
PubChem: 56947168
ChEMBL: CHEMBL2042136
InChI Key: DNZGEPPZYMAFLN-MRXNPFEDSA-N
SMILES: CC(c1ccccc1C(F)(F)F)Oc2cc(ccc2C(=O)N)c3cc(cnc3N)c4cc(cs4)CN(C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

List of PDB structures and/or AlphaFold models with target protein P51955

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4A4X	Download	Experimental	e4a4xA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot