Ligand name: methyl (4-{4-chloro-2-[(1S)-1-({(2E)-3-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]prop-2-enoyl}amino)-2-phenylethyl]-1H-imidazol-5-yl}phenyl)carbamate
PDB ligand accession: 4GR
DrugBank: n/a
PubChem: 57976401
ChEMBL: CHEMBL3398641
InChI Key: GLCBWRQIUCCILC-PZVJUEDKSA-N
SMILES: COC(=O)Nc1ccc(cc1)c2c(nc([nH]2)C(Cc3ccccc3)NC(=O)C=Cc4cc(ccc4n5cnnn5)Cl)Cl
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Cinnamic acids and derivatives
      • Subclass: Cinnamic acid amides

List of PDB structures and/or AlphaFold models with target protein P03951

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4Y8X	Download	Experimental	e4y8xA1	cradle loop barrel	LigPlot