Ligand name: 1-[(3R)-3-[4-azanyl-3-[3-chloranyl-4-[(1-methylimidazol-2-yl)methoxy]phenyl]pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
PDB ligand accession: 80U
DrugBank: n/a
PubChem: 130203720
ChEMBL: CHEMBL4060187
InChI Key: IDPFQFBOJCHECD-MRXNPFEDSA-N
SMILES: Cn1ccnc1COc2ccc(cc2Cl)c3c4c(ncnc4n(n3)C5CCCN(C5)C(=O)C=C)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Azoles
      • Subclass: Pyrazoles

List of PDB structures and/or AlphaFold models with target protein P00533

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5GNK	Download	Experimental	e5gnkA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot