Ligand name: 3-{[4-(dimethylamino)butanoyl]amino}-N-(4-{[4-(pyridin-3-yl)pyrimidin-2-yl]amino}phenyl)benzamide
PDB ligand accession: 0F0
DrugBank: n/a
PubChem: 72200709
ChEMBL: n/a
InChI Key: QHAGMZSIDYTUPB-UHFFFAOYSA-N
SMILES: CN(C)CCCC(=O)Nc1cccc(c1)C(=O)Nc2ccc(cc2)Nc3nccc(n3)c4cccnc4
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 P53779

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3V6S	Download	Experimental	e3v6sA2 e3v6sB2	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot