Ligand name: 4-{3-[(4-chlorophenyl)amino]-3-oxopropyl}-3-({[5-(propan-2-yl)-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridin-2-yl]carbonyl}amino)benzoic acid
PDB ligand accession: D1Q
DrugBank: n/a
PubChem: 25052256
ChEMBL: CHEMBL1923888
InChI Key: FQNIFNHOEQFSHE-UHFFFAOYSA-N
SMILES: CC(C)N1CCc2c(sc(n2)C(=O)Nc3cc(ccc3CCC(=O)Nc4ccc(cc4)Cl)C(=O)O)C1
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Anilides

List of PDB structures and/or AlphaFold models with target protein P00742

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3TK5	Download	Experimental	e3tk5A1	cradle loop barrel	LigPlot