Ligand name: 2-(2-{2-[(BIPHENYL-4-YLMETHYL)-AMINO]-3-MERCAPTO-PENTANOYLAMINO}-ACETYLAMINO)-3-METHYL-BUTYRIC ACID METHYL ESTER
PDB ligand accession: TR1
DrugBank: DB08643
PubChem: 4369141
ChEMBL: n/a
InChI Key: QFAWBPLETHINFK-UNMCSNQZSA-N
SMILES: CC(C)C(C(=O)OC)NC(=O)CNC(=O)C(CS)NCc1ccc(cc1)c2ccccc2
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 P08254

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1C3I	Download	Experimental	e1c3iB1	Zincin-like	LigPlot
1C8T	Download	Experimental	e1c8tA1 e1c8tB1 e1c8tA1	Zincin-like Zincin-like Zincin-like	LigPlot