Ligand name: 3-azanyl-5-[3-chloranyl-1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
PDB ligand accession: JFT
DrugBank: n/a
PubChem: 139030491
ChEMBL: CHEMBL4434680
InChI Key: AJLPROLDTQRMOM-UHFFFAOYSA-N
SMILES: c1cc(cnc1)Cn2cc(c3c2cc(cc3)c4c(c(n[nH]4)N)C#N)Cl
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
6QR1	Download	Experimental	e6qr1A1 e6qr1B1	alpha/beta knot alpha/beta knot	LigPlot