Ligand name: 1-(4-(4-(2-(isopropylsulfonyl)phenylamino)-1H-pyrrolo[2,3-b]pyridin-6-ylamino)-3-methoxyphenyl)piperidin-4-ol
PDB ligand accession: S22
DrugBank: n/a
PubChem: 25195352
ChEMBL: CHEMBL1235786
InChI Key: NMJMRSQTDLRCRQ-UHFFFAOYSA-N
SMILES: CC(C)S(=O)(=O)c1ccccc1Nc2cc(nc3c2cc[nH]3)Nc4ccc(cc4OC)N5CCC(CC5)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Phenylpiperidines

List of PDB structures and/or AlphaFold models with target protein P33981

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3GFW	Download	Experimental	e3gfwA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot