Ligand name: 3-({6-chloro-7-fluoro-2-methyl-1-[2-oxo-2-(spiro[cyclopropane-1,3'-indol]-1'(2'H)-yl)ethyl]-1H-indol-3-yl}sulfanyl)-2-fluorobenzoic acid
PDB ligand accession: 4O0
DrugBank: n/a
PubChem: 91936957
ChEMBL: CHEMBL4117054
InChI Key: YFALJJNRFPFPRE-UHFFFAOYSA-N
SMILES: Cc1c(c2ccc(c(c2n1CC(=O)N3CC4(CC4)c5c3cccc5)F)Cl)Sc6cccc(c6F)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
4ZG7	Download	Experimental	e4zg7A3 e4zg7A6	Somatomedin B domain Alkaline phosphatase-like	LigPlot