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 I6Y9J2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6IYV	Download	Experimental	e6iyvB2 e6iyvA1 e6iyvB2	L,D-transpeptidase catalytic domain-like L,D-transpeptidase catalytic domain-like L,D-transpeptidase catalytic domain-like	LigPlot
6LQB	Download	Experimental	e6lqbA2 e6lqbB1 e6lqbB1	L,D-transpeptidase catalytic domain-like L,D-transpeptidase catalytic domain-like L,D-transpeptidase catalytic domain-like	LigPlot