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
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q12884

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6Y0F	Download	Experimental	e6y0fA1 e6y0fA2 e6y0fB1 e6y0fB2 e6y0fC1 e6y0fC2 e6y0fD1 e6y0fD2	alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot