Ligand name: 2-(4-{(3S,5S)-5-[(3,3-difluoropyrrolidin-1-yl)carbonyl]pyrrolidin-3-yl}piperazin-1-yl)pyrimidine
PDB ligand accession: PF2
DrugBank: DB08382
PubChem: 11516136
ChEMBL: CHEMBL515387
InChI Key: QWEWGXUTRTXFRF-KBPBESRZSA-N
SMILES: c1cnc(nc1)N2CCN(CC2)C3CC(NC3)C(=O)N4CCC(C4)(F)F
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

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
3F8S	Download	Experimental	e3f8sA1 e3f8sA2 e3f8sB1 e3f8sB2	beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot