Ligand name: 4-({4-[(3R)-3-amino-4-(2,4,5-trifluorophenyl)butanoyl]-1,4-diazepan-1-yl}carbonyl)benzoic acid
PDB ligand accession: AJH
DrugBank: n/a
PubChem: 25021195;44629730;
ChEMBL: CHEMBL1186902
InChI Key: NXUBRAZWHJADLI-QGZVFWFLSA-N
SMILES: c1cc(ccc1C(=O)N2CCCN(CC2)C(=O)CC(Cc3cc(c(cc3F)F)F)N)C(=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 P27487

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3EIO	Download	Experimental	e3eioA1 e3eioA2 e3eioB1 e3eioB2	beta-propeller-like alpha/beta-Hydrolases beta-propeller-like alpha/beta-Hydrolases	LigPlot