Ligand name: 3-({4-[2-(3-chloroanilino)pyrimidin-4-yl]pyridin-2-yl}amino)propan-1-ol
PDB ligand accession: 8II
DrugBank: n/a
PubChem: 644215
ChEMBL: CHEMBL300389
InChI Key: IYNDTACKOAXKBJ-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Cl)Nc2nccc(n2)c3ccnc(c3)NCCCO
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Aniline and substituted anilines

List of PDB structures and/or AlphaFold models with target protein A4HXQ3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7S6V	Download	Experimental	e7s6vA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot