Ligand name: 3-[6-chloranyl-2-cyclopropyl-1-(1-ethylpyrazol-4-yl)-7-fluoranyl-indol-3-yl]sulfanyl-2-fluoranyl-benzoic acid
PDB ligand accession: 6Y7
DrugBank: n/a
PubChem: 118094189
ChEMBL: CHEMBL4642052
InChI Key: BQMMCRXYIIKAOB-UHFFFAOYSA-N
SMILES: CCn1cc(cn1)n2c3c(ccc(c3F)Cl)c(c2C4CC4)Sc5cccc(c5F)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organosulfur compounds
    • Class: Thioethers
      • Subclass: Aryl thioethers

List of PDB structures and/or AlphaFold models with target protein Q13822

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5KXA	Download	Experimental	e5kxaA3 e5kxaA6	Somatomedin B domain Alkaline phosphatase-like	LigPlot