Ligand name: 6-(4-amino-4-methylpiperidin-1-yl)-3-(2,3-dichlorophenyl)-5-methyl-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
PDB ligand accession: JE4
DrugBank: n/a
PubChem: 124140941
ChEMBL: CHEMBL4469071
InChI Key: MSUDNEADKNPNRJ-UHFFFAOYSA-N
SMILES: CC1(CCN(CC1)C2=Nc3c(c(n[nH]3)c4cccc(c4Cl)Cl)C(=O)N2C)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 Q06124

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6MDB	Download	Experimental	e6mdbA1 e6mdbA2 e6mdbA3 e6mdbB1 e6mdbB2 e6mdbB3	SH2 Flavodoxin-like SH2 SH2 Flavodoxin-like SH2	LigPlot