Ligand name: N-[(2-chlorobiphenyl-4-yl)methyl]-beta-alanyl-N-(3-carboxyphenyl)-beta-alaninamide
PDB ligand accession: 54S
DrugBank: n/a
PubChem: 121232389
ChEMBL: CHEMBL4070389
InChI Key: NZDQDPKZQDWCOF-UHFFFAOYSA-N
SMILES: c1ccc(cc1)c2ccc(cc2Cl)CNCCC(=O)NCCC(=O)Nc3cccc(c3)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P68400

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5CU3	Download	Experimental	e5cu3A1 e5cu3B1	Protein kinase/SAICAR synthase/ATP-grasp Protein kinase/SAICAR synthase/ATP-grasp	LigPlot
5CU4	Download	Experimental	e5cu4A1	Protein kinase/SAICAR synthase/ATP-grasp	LigPlot