Ligand name: 8-[(3R)-3-Aminopiperidin-1-yl]-7-but-2-yn-1-yl-3-methyl-1-[(4-methylquinazolin-2-yl)methyl]-3,7-dihydro-1H-purine-2,6-d ione
PDB ligand accession: 356
DrugBank: DB08882
PubChem: 10096344
ChEMBL: CHEMBL237500
InChI Key: LTXREWYXXSTFRX-QGZVFWFLSA-N
SMILES: CC#CCn1c2c(nc1N3CCCC(C3)N)N(C(=O)N(C2=O)Cc4nc(c5ccccc5n4)C)C

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Imidazopyrimidines
      • Subclass: Purines and purine derivatives

List of proteins that are targets for DB08882

#	DrugDomain Data	UniProt Accession	Drug Action	Affinity data
1	Q12884_356	Q12884	n/a	IC50(nM) = 89.0
2	P27487_356	P27487	inhibitor	IC50(nM) = 0.1 Kd(nM) = 0.0066 EC50(nM) = 3.1