Ligand name: 2-[(1H-indol-3-yl)methyl]prop-2-enoic acid
PDB ligand accession: ITW
DrugBank: n/a
PubChem: 10081533
ChEMBL: n/a
InChI Key: IUWCGRQSIYXPMR-UHFFFAOYSA-N
SMILES: C=C(Cc1c[nH]c2c1cccc2)C(=O)O
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q9S3V1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5G3U	Download	Experimental	e5g3uA1 e5g3uA2 e5g3uB1 e5g3uB2	FAD-linked reductases, C-terminal domain-like Rossmann-like Rossmann-like FAD-linked reductases, C-terminal domain-like	LigPlot