Ligand name: 4-[2-(4-chlorophenyl)ethylamino]-~{N}-[4-(4-methylpiperazin-1-yl)phenyl]-2-oxidanylidene-1~{H}-pyridine-3-carboxamide
PDB ligand accession: 5Q2
DrugBank: n/a
PubChem: 102515536
ChEMBL: CHEMBL3780553
InChI Key: MOSAREMUBHMKIV-UHFFFAOYSA-N
SMILES: CN1CCN(CC1)c2ccc(cc2)NC(=O)C3=C(C=CNC3=O)NCCc4ccc(cc4)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 P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5EM5	Download	Experimental	e5em5A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot