Ligand name: (2~{S})-2-(3-azanylpropyl)-5-[2,5-bis(fluoranyl)phenyl]-~{N}-methoxy-~{N}-methyl-2-phenyl-1,3,4-thiadiazole-3-carboxamide
PDB ligand accession: GCE
DrugBank: DB06040
PubChem: 44224257
ChEMBL: CHEMBL2347655
InChI Key: LLXISKGBWFTGEI-FQEVSTJZSA-N
SMILES: CN(C(=O)N1C(SC(=N1)c2cc(ccc2F)F)(CCCN)c3ccccc3)OC
Drug action: inhibitor

ClassyFire chemical classification:

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

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P52732

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6HKX	Download	Experimental	e6hkxA1 e6hkxB1	P-loop domains-like P-loop domains-like	LigPlot
6HKY	Download	Experimental	e6hkyA1 e6hkyB1 e6hkyC1	P-loop domains-like P-loop domains-like P-loop domains-like	LigPlot