Ligand name: (2S)-2-(4-chlorophenyl)-1-{4-[(5R,7R)-7-hydroxy-5-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl]piperazin-1-yl}-3-(propan-2-ylamino)propan-1-one
PDB ligand accession: 0RF
DrugBank: DB11743
PubChem: 24788740
ChEMBL: CHEMBL2177390
InChI Key: GRZXWCHAXNAUHY-NSISKUIASA-N
SMILES: CC1CC(c2c1c(ncn2)N3CCN(CC3)C(=O)C(CNC(C)C)c4ccc(cc4)Cl)O
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P31749

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4EKL	Download	Experimental	e4eklA2	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot