Ligand name: {(1S)-1-BENZYL-4-[3-CARBAMOYL-1-(1-CARBAMOYL-2-PHENYL-ETHYLCARBAMOYL)-(S)-PROPYLCARBAMOYL]-2-OXO-5-PHENYL-PENTYL}-CARBAMIC ACID TERT-BUTYL ESTER
PDB ligand accession: Q50
DrugBank: DB04353
PubChem: 6323486
ChEMBL: n/a
InChI Key: DDOOHEYBNHOFCV-BHSUFKTOSA-N
SMILES: CC(C)(C)OC(=O)NC(Cc1ccccc1)C(=O)CC(Cc2ccccc2)C(=O)NC(CCC(=O)N)C(=O)NC(Cc3ccccc3)C(=O)N
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 Q90EB9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1IZH	Download	Experimental	e1izhB1 e1izhA1	cradle loop barrel cradle loop barrel	LigPlot
1IZI	Download	Experimental	e1iziB1 e1iziA1	cradle loop barrel cradle loop barrel	LigPlot