Ligand name: TRI166 (BIFUNCTIONAL BORONATE INHIBITOR)
PDB ligand accession: T29
DrugBank: n/a
PubChem: 49867709
ChEMBL: n/a
InChI Key: IRTXHWTZQUYIAV-SQNIBIBYSA-N
SMILES: B(C(CCCSC(=N)N)NC(=O)C1CCCN1C(=O)C(Cc2ccccc2)NC(=O)CC)(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 P00734

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1A3B	Download	Experimental	e1a3b.1	cradle loop barrel	LigPlot