Ligand name: 3-{[(4S)-2-amino-4-methyl-6-oxo-4-(propan-2-yl)-5,6-dihydropyrimidin-1(4H)-yl]methyl}-5-fluoro-N-[(1S)-1-phenylethyl]benzamide
PDB ligand accession: 43T
DrugBank: n/a
PubChem: 60149247
ChEMBL: CHEMBL3401350
InChI Key: PGSGWIDQXZCHJL-FYSMJZIKSA-N
SMILES: CC(C)C1(CC(=O)N(C(=N1)N)Cc2cc(cc(c2)F)C(=O)NC(C)c3ccccc3)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4S1G	Download	Experimental	e4s1gA1 e4s1gA2 e4s1gB1 e4s1gB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot