Ligand name: 5-azanyl-3-(1~{H}-indol-6-yl)-1~{H}-pyrazole-4-carbonitrile
PDB ligand accession: JF8
DrugBank: n/a
PubChem: 139030486
ChEMBL: CHEMBL4548872
InChI Key: ALVYLOVBZSBJDI-UHFFFAOYSA-N
SMILES: c1cc(cc2c1cc[nH]2)c3c(c([nH]n3)N)C#N
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 B1MDI3

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6QQU	Download	Experimental	e6qquA1 e6qquB1	alpha/beta knot alpha/beta knot	LigPlot