Ligand name: 2-fluoro-6-{[2-({2-methoxy-4-[4-(1-methylethyl)piperazin-1-yl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
PDB ligand accession: GS3
DrugBank: n/a
PubChem: 25113170
ChEMBL: CHEMBL507625
InChI Key: HXZDICYKFAOZLE-UHFFFAOYSA-N
SMILES: CC(C)N1CCN(CC1)c2ccc(c(c2)OC)Nc3nc4c(cc[nH]4)c(n3)Nc5cccc(c5C(=O)N)F
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 P06213

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3EKN	Download	Experimental	e3eknA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot