Ligand name: 2-[[4-[2-[[3-[(2-methyl-1,3-benzothiazol-6-yl)amino]-3-oxidanylidene-propyl]carbamoylamino]ethoxy]phenyl]methyl]propanedioic acid
PDB ligand accession: W7E
DrugBank: n/a
PubChem: 56844255
ChEMBL: CHEMBL2059008
InChI Key: YPEMYPUMNYOIMU-UHFFFAOYSA-N
SMILES: Cc1nc2ccc(cc2s1)NC(=O)CCNC(=O)NCCOc3ccc(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
4AL4	Download	Experimental	e4al4A2 e4al4B1 e4al4B2 e4al4C2 e4al4D3 e4al4D2	Rossmann-like LDH C-terminal domain-like Rossmann-like Rossmann-like LDH C-terminal domain-like Rossmann-like	LigPlot