Ligand name: 3-[[3-[[3-(aminomethyl)phenyl]amino]-1~{H}-pyrazolo[3,4-d]pyrimidin-4-yl]amino]phenol
PDB ligand accession: E85
DrugBank: n/a
PubChem: 134158401
ChEMBL: CHEMBL4176772
InChI Key: OUMZUIUUJCKLOT-UHFFFAOYSA-N
SMILES: c1cc(cc(c1)Nc2c3c([nH]n2)ncnc3Nc4cccc(c4)O)CN
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrazolopyrimidines
      • Subclass: Pyrazolo[3,4-d]pyrimidines

List of PDB structures and/or AlphaFold models with target protein P00746

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6FUG	Download	Experimental	e6fugA1 e6fugB1 e6fugC1 e6fugD1 e6fugE1 e6fugF1	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot