Ligand name: 2-({8-[(3R)-3-AMINOPIPERIDIN-1-YL]-1,3-DIMETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-7H-PURIN-7-YL}METHYL)BENZONITRILE
PDB ligand accession: XIH
DrugBank: DB08743
PubChem: 6914643
ChEMBL: n/a
InChI Key: XJNKUWDMCBZMTG-OAHLLOKOSA-N
SMILES: CN1c2c(n(c(n2)N3CCCC(C3)N)Cc4ccccc4C#N)C(=O)N(C1=O)C
Drug action: n/a

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

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
3G0D	Download	Experimental	e3g0dA1 e3g0dA2 e3g0dB1 e3g0dB2 e3g0dC1 e3g0dC2 e3g0dD1 e3g0dD2	beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot