Ligand name: (2S,3S)-3-FORMYL-2-({[(4-METHYLPHENYL)SULFONYL]AMINO}METHYL)PENTANOIC ACID
PDB ligand accession: TPX
DrugBank: DB08640
InChI Key: IDDWUPNJUMHKFQ-DGCLKSJQSA-N
SMILES: CCC(C=O)C(CNS(=O)(=O)c1ccc(cc1)C)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 Q9UNI1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name
Q9UNI1	Download	Predicted	Q9UNI1_F1_nD1	cradle loop barrel