Ligand name: (2S)-1-[(5-chloro-2-thienyl)methyl]-8-[(3R,5R)-3,5-dimethylmorpholin-4-yl]-2-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-a]pyrimidin-6-one
PDB ligand accession: UJB
DrugBank: n/a
PubChem: 86278575
ChEMBL: n/a
InChI Key: MMAAITOCOBQYBQ-BZPMIXESSA-N
SMILES: CC1COCC(N1C2=CC(=O)N3CCC(N(C3=N2)Cc4ccc(s4)Cl)C(F)(F)F)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic nitrogen compounds
    • Class: Organonitrogen compounds
      • Subclass: Amines

List of PDB structures and/or AlphaFold models with target protein Q8NEB9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4UWK	Download	Experimental	e4uwkA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot