Ligand name: 2-{[4-amino-3-(3-hydroxyprop-1-yn-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]methyl}-5-methyl-3-(2-methylphenyl)quinazolin-4(3H)-one
PDB ligand accession: S30
DrugBank: n/a
PubChem: 44475987
ChEMBL: CHEMBL1213116
InChI Key: GJBJSDBBRWPDBE-UHFFFAOYSA-N
SMILES: Cc1ccccc1N2C(=Nc3cccc(c3C2=O)C)Cn4c5c(c(n4)C#CCO)c(ncn5)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazanaphthalenes
      • Subclass: Benzodiazines

List of PDB structures and/or AlphaFold models with target protein Q3UDT3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2WXI	Download	Experimental	e2wxiA1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot