Ligand name: 2-[(1S)-1-(3-chlorophenyl)-2-hydroxyethyl]-8-[2-(tetrahydro-2H-pyran-4-ylamino)pyrimidin-4-yl]-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one
PDB ligand accession: 4VG
DrugBank: n/a
PubChem: 91864561
ChEMBL: CHEMBL3608588
InChI Key: KQDDJNKQTVYZHY-HSZRJFAPSA-N
SMILES: c1cc(cc(c1)Cl)C(CO)N2CCCn3cc(cc3C2=O)c4ccnc(n4)NC5CCOCC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Carboxylic acid derivatives

List of PDB structures and/or AlphaFold models with target protein P28482

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5BVE	Download	Experimental	e5bveA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot