Ligand name: 2-[[6-[(3~{R})-3-azanylpiperidin-1-yl]-3-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]methyl]-4-fluoranyl-benzenecarboni trile
PDB ligand accession: 6RL
DrugBank: DB15323
PubChem: 15983988
ChEMBL: CHEMBL1650443
InChI Key: IWYJYHUNXVAVAA-OAHLLOKOSA-N
SMILES: CN1C(=O)C=C(N(C1=O)Cc2cc(ccc2C#N)F)N3CCCC(C3)N
Drug action: inhibitor

ClassyFire chemical classification:

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

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
5KBY	Download	Experimental	e5kbyA2 e5kbyA3 e5kbyB2 e5kbyB1 e5kbyC2 e5kbyC3 e5kbyD2 e5kbyD3	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