Ligand name: 4-(cyclopentylmethylamino)-2-[[2-methoxy-4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]amino]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PDB ligand accession: G0U
DrugBank: n/a
PubChem: 155118973
ChEMBL: CHEMBL5079244
InChI Key: HNTNJDLDWXMVRF-UHFFFAOYSA-N
SMILES: COc1cc(ccc1Nc2nc3c(c(c[nH]3)C#N)c(n2)NCC4CCCC4)N5CCCC5=O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolidines
      • Subclass: Phenylpyrrolidines

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
7CJA	Download	Experimental	e7cjaA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot