Ligand name: ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
PDB ligand accession: 75U
DrugBank: DB13609
PubChem: 131411;28446253;
ChEMBL: CHEMBL1214598
InChI Key: KCFYEAOKVJSACF-UHFFFAOYSA-N
SMILES: CCOC(=O)c1c(n(c2c1c(c(c(c2)Br)O)CN(C)C)C)CSc3ccccc3
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q91MA7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5T6N	Download	Experimental	e5t6nA1 e5t6nE1 e5t6nB1 e5t6nF1 e5t6nC1 e5t6nE1 e5t6nD1 e5t6nF1	jelly-roll jelly-roll Hemagglutinin HA2 chain Hemagglutinin HA2 chain jelly-roll jelly-roll Hemagglutinin HA2 chain Hemagglutinin HA2 chain	LigPlot