Ligand name: N-[2-fluoro-6-(pyrrolidin-1-yl)phenyl]-N'-{3-[(2R)-1-(2-hydroxyethyl)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-2-yl]phenyl}urea
PDB ligand accession: L9S
DrugBank: n/a
PubChem: 138393376
ChEMBL: CHEMBL4564973
InChI Key: ZJSNZHATZAWKIQ-VWLOTQADSA-N
SMILES: c1cc(cc(c1)NC(=O)Nc2c(cccc2F)N3CCCC3)C4CN(CCN4CCO)c5c6cc[nH]c6ncn5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q06187

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6NZM	Download	Experimental	e6nzmA1 e6nzmD1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot