Ligand name: N~8~-(cyclopropylmethyl)-N~4~-[2-(methylsulfanyl)phenyl]-2-(piperazin-1-yl)pyrimido[5,4-d]pyrimidine-4,8-diamine
PDB ligand accession: XNB
DrugBank: n/a
PubChem: 53348216
ChEMBL: CHEMBL2017214
InChI Key: HFLMLZKGLUEWBU-UHFFFAOYSA-N
SMILES: CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CCNCC5
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Diazinanes
      • Subclass: Piperazines

List of PDB structures and/or AlphaFold models with target protein P50053-2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3Q92	Download	Experimental	e3q92B2 e3q92A1 e3q92B2	Rossmann-like Rossmann-like Rossmann-like	LigPlot