Ligand name: ISATIN
PDB ligand accession: ISN
DrugBank: DB02095
PubChem: 7054
ChEMBL: CHEMBL326294
InChI Key: JXDYKVIHCLTXOP-UHFFFAOYSA-N
SMILES: c1ccc2c(c1)C(=O)C(=O)N2
Drug action: inhibitor

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Indoles and derivatives
      • Subclass: Indolines

List of drug binding-associated PTMs

List of PDB structures and/or AlphaFold models with target protein P27338

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XFP	Download	Experimental	e2xfpA1 e2xfpA2 e2xfpB1 e2xfpB2	FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot
2BK5	Download	Experimental	e2bk5A1 e2bk5A2 e2bk5B1 e2bk5B2	FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot
1OJA	Download	Experimental	e1ojaA1 e1ojaA2 e1ojaB1 e1ojaB2	FAD-linked reductases, C-terminal domain-like Rossmann-like FAD-linked reductases, C-terminal domain-like Rossmann-like	LigPlot