Ligand name: (2~{R})-3-(1~{H}-indol-3-yl)-2-[[(2~{S})-2-methyl-3-sulfanyl-propanoyl]amino]propanoic acid
PDB ligand accession: R38
DrugBank: n/a
PubChem: 126963320
ChEMBL: CHEMBL4177035
InChI Key: ZOUTYVWHWSUKPL-NOZJJQNGSA-N
SMILES: CC(CS)C(=O)NC(Cc1c[nH]c2c1cccc2)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 Q9K2N0

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5N4S	Download	Experimental	e5n4sA1 e5n4sB1	Metallo-hydrolase/oxidoreductase Metallo-hydrolase/oxidoreductase	LigPlot