Ligand name: N-(3-{[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)-4-{[4-(dimethylamino)butanoyl]amino}benzamide
PDB ligand accession: V0G
DrugBank: n/a
PubChem: 119081415
ChEMBL: CHEMBL4303279
InChI Key: TUERFPPIPKZNKE-UHFFFAOYSA-N
SMILES: CN(C)CCCC(=O)Nc1ccc(cc1)C(=O)Nc2cccc(c2)Nc3ncc(c(n3)c4c[nH]c5c4cccc5)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P50613

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8ORM	Download	Experimental	e8ormJ1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
6XD3	Download	Experimental	e6xd3J1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot