Ligand name: 2-{(5-{[BUTYL-(2-CYCLOHEXYL-ETHYL)-AMINO]-METHYL}-2'-METHYL-BIPHENYL-2-CARBONYL)-AMINO]-4-METHYLSULFANYL-BUTYRIC ACID
PDB ligand accession: TIN
DrugBank: n/a
PubChem: 447312
ChEMBL: CHEMBL29982
InChI Key: GAQHYZNOMLXSEA-PMERELPUSA-N
SMILES: CCCCN(CCC1CCCCC1)Cc2ccc(c(c2)c3ccccc3C)C(=O)NC(CCSC)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 Q04631

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1N94	Download	Experimental	e1n94B1 e1n94A1	Repetitive alpha hairpins Repetitive alpha hairpins	LigPlot