Ligand name: tert-butyl (4-(4-amino-1-(2-(4-(dimethylamino)piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl)carbamate
PDB ligand accession: UCW
DrugBank: n/a
PubChem: 121231408
ChEMBL: CHEMBL3824089
InChI Key: GMPQGWXPDRNCBL-UHFFFAOYSA-N
SMILES: CC(C)(C)OC(=O)Nc1ccc(cc1OC)c2c3c(ncnc3n(n2)CCN4CCC(CC4)N(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 P12931

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7NG7	Download	Experimental	e7ng7A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot