Ligand name: 6-(4-{(1S,2S)-2-AMINO-1-[(DIMETHYLAMINO)CARBONYL]-3-[(3S)-3-FLUOROPYRROLIDIN-1-YL]-3-OXOPROPYL}PHENYL)-1H-[1,2,4]TRIAZOLO[1,5-A]PYRIDIN-4-IUM
PDB ligand accession: S14
DrugBank: DB08504
PubChem: 10320144
ChEMBL: CHEMBL237337
InChI Key: ZNHVIJAGMFQGMS-IHPCNDPISA-N
SMILES: CN(C)C(=O)C(c1ccc(cc1)c2ccc3ncnn3c2)C(C(=O)N4CCC(C4)F)N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyridines and derivatives
      • Subclass: Phenylpyridines

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
2FJP	Download	Experimental	e2fjpA2 e2fjpA1 e2fjpB2 e2fjpB1	alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases beta-propeller-like	LigPlot