Ligand name: 2-[(3R)-3-aminopiperidin-1-yl]-3-(but-2-yn-1-yl)-6-[(4-methylquinazolin-2-yl)methyl]-6,7,8,9-tetrahydropyrimido[2,1-b]purin-4(3H)-one
PDB ligand accession: 75L
DrugBank: n/a
PubChem: 122172854
ChEMBL: CHEMBL4557196
InChI Key: QWESHPQYRLOVFN-LJQANCHMSA-N
SMILES: CC#CCn1c2c(nc1N3CCCC(C3)N)N4CCCN(C4=NC2=O)Cc5nc(c6ccccc6n5)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 P27487

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5T4E	Download	Experimental	e5t4eA2 e5t4eA1 e5t4eB2 e5t4eB3	beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot