Ligand name: 5-azanyl-3-[1-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
PDB ligand accession: JCK
DrugBank: n/a
PubChem: 145997885
ChEMBL: CHEMBL4537643
InChI Key: IWWBYCSSMDZNIG-UHFFFAOYSA-N
SMILES: c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCCC5
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
6QR6	Download	Experimental	e6qr6A1 e6qr6B1	alpha/beta knot alpha/beta knot	LigPlot