Ligand name: 5-bromo-N-(3-chloro-2-(4-(prop-2-ynyl)piperazin-1-yl)phenyl)furan-2-carboxamide
PDB ligand accession: JK3
DrugBank: DB08021
PubChem: 44224261
ChEMBL: CHEMBL1233749
InChI Key: MEFJFXHHHNDHEN-UHFFFAOYSA-N
SMILES: C#CCN1CCN(CC1)c2c(cccc2Cl)NC(=O)c3ccc(o3)Br
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

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
3FV8	Download	Experimental	e3fv8A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot