Ligand name: 4-amino-7-methyl-2-[(1-methyl-1H-pyrazol-4-yl)amino]-6-[(2R)-2-methylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PDB ligand accession: U0Q
DrugBank: n/a
PubChem: 155928385
ChEMBL: CHEMBL5075978
InChI Key: QQIQPTYOVZSTDB-SNVBAGLBSA-N
SMILES: CC1CCCN1c2c(c3c(nc(nc3n2C)Nc4cnn(c4)C)N)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrrolopyrimidines
      • Subclass: Pyrrolo[2,3-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein O14757

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7BJX	Download	Experimental	e7bjxA1 e7bjxB1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot