Ligand name: 4-[[1-(4-ethylphenyl)-2-methyl-5-(4-methylsulfanylphenyl)pyrrol-3-yl]methyl]thiomorpholine
PDB ligand accession: JV0
DrugBank: n/a
PubChem: 52946783
ChEMBL: CHEMBL1277380
InChI Key: NFXQXSBKNGTIEG-UHFFFAOYSA-N
SMILES: CCc1ccc(cc1)n2c(c(cc2c3ccc(cc3)SC)CN4CCSCC4)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

List of PDB structures and/or AlphaFold models with target protein A4HSF7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4APN	Download	Experimental	e4apnB4 e4apnA2	FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot