Ligand name: {4-[4-({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}AMINO)-4-OXOBUTYL]BENZYL}PROPANEDIOIC ACID
PDB ligand accession: 88N
DrugBank: n/a
PubChem: 56844254
ChEMBL: CHEMBL2059811
InChI Key: SGFJAJFBGVAOFW-UHFFFAOYSA-N
SMILES: Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)CCCc3ccc(cc3)CC(C(=O)O)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 P00338

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AJP	Download	Experimental	e4ajpA2 e4ajpA3 e4ajpB3 e4ajpB2 e4ajpC1 e4ajpC2 e4ajpD1 e4ajpD2	Rossmann-like LDH C-terminal domain-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like	LigPlot