Ligand name: (2S,3R,4S)-4-({(3S,5S)-5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl}sulfanyl)-2-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-methyl-3,4-dihydro-2H-pyrrole-5-carboxylic acid
PDB ligand accession: 2RG
DrugBank: n/a
PubChem: 49866475
ChEMBL: n/a
InChI Key: RALHTEQYPKBGFO-SAGZMZRGSA-N
SMILES: CC1C(C(=NC1C(C=O)C(C)O)C(=O)O)SC2CC(NC2)C(=O)Nc3cccc(c3)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q7BNC2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6ZRH	Download	Experimental	e6zrhA1 e6zrhA2 e6zrhB1 e6zrhB2 e6zrhB1 e6zrhC1 e6zrhC2 e6zrhA1 e6zrhA2 e6zrhD1 e6zrhD2	alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins alpha-helical domain in beta-lactamase/transpeptidase-like proteins Profilin-like Profilin-like alpha-helical domain in beta-lactamase/transpeptidase-like proteins	LigPlot