Ligand name: 2-[5-AMINO-6-OXO-2-(2-THIENYL)-1,6-DIHYDROPYRIMIDIN-1-YL)-N-[3,3-DIFLUORO -1-ISOPROPYL-2-OXO-3-(N-(2-MORPHOLINO ETHYL)CARBAMOYL]PROPYL]ACETAMIDE
PDB ligand accession: BDK
DrugBank: n/a
PubChem: 5287753
ChEMBL: n/a
InChI Key: SZYHELVLDPKTOS-SFHVURJKSA-N
SMILES: CC(C)C(C(=O)C(C(=O)NCCN1CCOCC1)(F)F)NC(=O)CN2C(=NC=C(C2=O)N)c3cccs3
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazines
      • Subclass: Pyrimidines and pyrimidine derivatives

List of PDB structures and/or AlphaFold models with target protein P00772

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1EAU	Download	Experimental	e1eauA1	cradle loop barrel	LigPlot