Ligand name: 2-({6-[(3R)-3-aminopiperidin-1-yl]-3-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl}methyl)benzonitrile
PDB ligand accession: T22
DrugBank: DB06203
PubChem: 11450633
ChEMBL: CHEMBL376359
InChI Key: ZSBOMTDTBDDKMP-OAHLLOKOSA-N
SMILES: CN1C(=O)C=C(N(C1=O)Cc2ccccc2C#N)N3CCCC(C3)N
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzonitriles

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
3G0B	Download	Experimental	e3g0bA1 e3g0bA2 e3g0bB1 e3g0bB2 e3g0bC1 e3g0bC2 e3g0bD1 e3g0bD2	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