Ligand name: N~8~-(cyclopropylmethyl)-2-(2,6-diazaspiro[3.3]hept-2-yl)-N~4~-[2-(methylsulfanyl)phenyl]pyrimido[5,4-d]pyrimidine-4,8-diamine
PDB ligand accession: XNN
DrugBank: n/a
PubChem: 53494876
ChEMBL: CHEMBL2017253
InChI Key: HWRXWXISYHCNJM-UHFFFAOYSA-N
SMILES: CSc1ccccc1Nc2c3c(c(ncn3)NCC4CC4)nc(n2)N5CC6(C5)CNC6
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

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
3QAI	Download	Experimental	e3qaiB2 e3qaiA2 e3qaiB2	Rossmann-like Rossmann-like Rossmann-like	LigPlot