Ligand name: (4-{2-[({3-[(2-METHYL-1,3-BENZOTHIAZOL-6-YL)AMINO]-3-OXOPROPYL}CARBAMOYL)AMINO]ETHYL}BENZYL)PROPANEDIOIC ACID
PDB ligand accession: 88V
DrugBank: n/a
PubChem: 56844253
ChEMBL: CHEMBL2059807
InChI Key: GADNEHRFYQNKCC-UHFFFAOYSA-N
SMILES: Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCc3ccc(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 P04642

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4AJN	Download	Experimental	e4ajnA3 e4ajnA2 e4ajnB3 e4ajnB2 e4ajnC3 e4ajnC2 e4ajnD1 e4ajnD2	LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like LDH C-terminal domain-like Rossmann-like	LigPlot