Ligand name: ~{N}-[2-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-[[(2~{S})-2-[[2,3-bis(oxidanyl)phenyl]carbonylamino]-3-oxidanylidene-3-(prop-2-ynylamino)propyl]amino]-3-oxidanylidene-propyl]amino]-2-oxidanylidene-ethyl]-2,3-bis(oxidanyl)benzamide
PDB ligand accession: 8SW
DrugBank: n/a
PubChem: 132471828
ChEMBL: n/a
InChI Key: XJMZSRWAQFOMTB-PMACEKPBSA-N
SMILES: C#CCNC(=O)C(CNC(=O)C(CNC(=O)CNC(=O)c1cccc(c1O)O)NC(=O)c2cccc(c2O)O)NC(=O)c3cccc(c3O)O
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 Q9I0F2

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6GI2	Download	Experimental	e6gi2A1 e6gi2B1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot
6GI5	Download	Experimental	e6gi5A1 e6gi5B1	alpha/beta-Hydrolases alpha/beta-Hydrolases	LigPlot