Ligand name: 4-[(1S,4S)-5-(3-chlorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-(pyridin-3-yl)pyrimidine-5-carbonitrile
PDB ligand accession: M5V
DrugBank: n/a
PubChem: 145704649
ChEMBL: CHEMBL4648691
InChI Key: LYMCCCUAFBZMES-OALUTQOASA-N
SMILES: c1cc(cc(c1)Cl)N2CC3CC2CN3c4c(cnc(n4)c5cccnc5)C#N
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 O00329

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6OCO	Download	Experimental	e6ocoA3	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot