Ligand name: 2-[[6-(5-azanyl-1~{H}-pyrazol-3-yl)indol-1-yl]methyl]benzenecarbonitrile
PDB ligand accession: JEW
DrugBank: n/a
PubChem: 139030487
ChEMBL: CHEMBL4531919
InChI Key: BIAUTOGYZPQBHF-UHFFFAOYSA-N
SMILES: c1ccc(c(c1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N)C#N
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein B1MDI3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QQV	Download	Experimental	e6qqvA1 e6qqvB1	alpha/beta knot alpha/beta knot	LigPlot