Ligand name: 2-fluoro-6-{[2-({2-methoxy-4-[(methylsulfonyl)methyl]phenyl}amino)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino}benzamide
PDB ligand accession: GS7
DrugBank: DB07845
PubChem: 25113171
ChEMBL: n/a
InChI Key: VGYXXQRDIVRILX-UHFFFAOYSA-N
SMILES: COc1cc(ccc1Nc2nc3c(cc[nH]3)c(n2)Nc4cccc(c4C(=O)N)F)CS(=O)(=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P45983

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3ELJ	Download	Experimental	e3eljA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot