Ligand name: 4-(3-ACETOXYMETHYL-2-CARBOXY-8-OXO-5-THIA-1-AZA-BICYCLO[4.2.0]OCT-2-EN-7-YLCARBAMOYL)-1-CARBOXY-BUTYL-AMMONIUM
PDB ligand accession: CSC
DrugBank: DB03313
PubChem: 49866835
ChEMBL: n/a
InChI Key: HOKIDJSKDBPKTQ-GLXFQSAKSA-O
SMILES: CC(=O)OCC1=C(N2C(C(C2=O)NC(=O)CCCC(C(=O)O)[NH3+])SC1)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein P39058

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2VAV	Download	Experimental	e2vavA1 e2vavB1 e2vavC1 e2vavD1 e2vavE1 e2vavF1 e2vavG1 e2vavH1 e2vavI1 e2vavJ1 e2vavK1 e2vavL1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
2VAX	Download	Experimental	e2vaxA1 e2vaxB1 e2vaxC1 e2vaxD1 e2vaxE1 e2vaxF1 e2vaxG1 e2vaxH1 e2vaxI1 e2vaxJ1 e2vaxK1 e2vaxL1	alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot