Ligand name: N-(3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-fluorobenzamide
PDB ligand accession: 738
DrugBank: DB07217
PubChem: 766948
ChEMBL: CHEMBL234838
InChI Key: YVYPYORTKAIUGJ-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)C(=O)Nc2c(c3c(s2)CCCC3)C#N)F
Drug action: n/a

ClassyFire chemical classification:

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

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
2O2U	Download	Experimental	e2o2uA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot