Ligand name: 4-{[({5-[2-(ethoxycarbonyl)-1H-indol-5-yl]-1-methyl-1H-pyrazol-3-yl}carbonyl)amino]methyl}benzoic acid
PDB ligand accession: 4UF
DrugBank: n/a
PubChem: 45376872
ChEMBL: CHEMBL1939876
InChI Key: MMJPVSDTLGFIQW-UHFFFAOYSA-N
SMILES: CCOC(=O)c1cc2cc(ccc2[nH]1)c3cc(nn3C)C(=O)NCc4ccc(cc4)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolecarboxylic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein P45452

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5BPA	Download	Experimental	e5bpaA1 e5bpaB1	Zincin-like Zincin-like	LigPlot