Ligand name: 6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-[(3S)-3-hydroxy-3-methylpyrrolidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
PDB ligand accession: A4J
DrugBank: n/a
PubChem: 129900198
ChEMBL: CHEMBL4070442
InChI Key: FAXXYODRCHXHTQ-HUBLWGQQSA-N
SMILES: CC1(CCN(C1)c2c(c(cc(n2)N3CC(C(C3)O)O)C(F)(F)F)C#N)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: 3-pyridinecarbonitriles

List of PDB structures and/or AlphaFold models with target protein P50053

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5WBZ	Download	Experimental	e5wbzA1 e5wbzB1 e5wbzB1	Rossmann-like Rossmann-like Rossmann-like	LigPlot