Ligand name: 3-{1-[(3R)-1-acryloylpiperidin-3-yl]-4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-N-(3-tert-butylphenyl)benzamide
PDB ligand accession: 18R
DrugBank: n/a
PubChem: 72200985
ChEMBL: n/a
InChI Key: RMAUIYTVKFMOGP-HSZRJFAPSA-N
SMILES: CC(C)(C)c1cccc(c1)NC(=O)c2cccc(c2)c3c4c(ncnc4n(n3)C5CCCN(C5)C(=O)C=C)N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q08881

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4HCT	Download	Experimental	e4hctA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot