Ligand name: 2-phenyl-~{N}-[5-[[(3~{S})-1-[5-(2-phenylethanoylamino)-1,3,4-thiadiazol-2-yl]pyrrolidin-3-yl]amino]-1,3,4-thiadiazol-2-yl]ethanamide
PDB ligand accession: 5XY
DrugBank: n/a
PubChem: 118988616
ChEMBL: CHEMBL3771098
InChI Key: XKAUHJUBYCZSGD-SFHVURJKSA-N
SMILES: c1ccc(cc1)CC(=O)Nc2nnc(s2)NC3CCN(C3)c4nnc(s4)NC(=O)Cc5ccccc5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O94925

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5FI6	Download	Experimental	e5fi6A1 e5fi6B3 e5fi6C1 e5fi6A1 e5fi6B3 e5fi6C1 e5fi6D1	alpha-helical domain in beta-lactamase/transpeptidase-like proteins alpha-helical domain in beta-lactamase/transpeptidase-like proteins alpha-helical domain in beta-lactamase/transpeptidase-like proteins alpha-helical domain in beta-lactamase/transpeptidase-like proteins alpha-helical domain in beta-lactamase/transpeptidase-like proteins alpha-helical domain in beta-lactamase/transpeptidase-like proteins alpha-helical domain in beta-lactamase/transpeptidase-like proteins	LigPlot