Ligand name: METHYL 2-[({[(4,6-DIMETHYLPYRIMIDIN-2-YL)AMINO]CARBONYL}AMINO)SULFONYL]BENZOATE
PDB ligand accession: 1SM
DrugBank: n/a
PubChem: 52997
ChEMBL: CHEMBL513261
InChI Key: ZDXMLEQEMNLCQG-UHFFFAOYSA-N
SMILES: Cc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)C
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein A0A1D8PJF9

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6DEP	Download	Experimental	e6depA2 e6depA3	Rossmann-like Thiamin diphosphate-binding fold (THDP-binding)	LigPlot