Ligand name: 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine
PDB ligand accession: VGH
DrugBank: DB08865
PubChem: 11626560
ChEMBL: CHEMBL601719
InChI Key: KTEIFNKAUNYNJU-GFCCVEGCSA-N
SMILES: CC(c1c(ccc(c1Cl)F)Cl)Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein B6EXY4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XP2	Download	Experimental	e2xp2A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
2YFX	Download	Experimental	e2yfxA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot