Ligand name: 9-chloro-2-({5-[3-(dimethylamino)propyl]-2-methylpyridin-3-yl}amino)-5,7-dihydro-6H-pyrimido[5,4-d][1]benzazepine-6-thi one
PDB ligand accession: 3TA
DrugBank: n/a
PubChem: 46233889
ChEMBL: CHEMBL1945804
InChI Key: MYVQSDVXBZNNLF-UHFFFAOYSA-N
SMILES: Cc1c(cc(cn1)CCCN(C)C)Nc2ncc3c(n2)-c4ccc(cc4NC(=S)C3)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzazepines
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein P53350

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3THB	Download	Experimental	e3thbA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot