Ligand name: 5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
PDB ligand accession: JEE
DrugBank: n/a
PubChem: 139030496
ChEMBL: CHEMBL4434796
InChI Key: UYOMCTXSEJZTSM-UHFFFAOYSA-N
SMILES: c1cc(ccc1Cn2ccc3c2cc(cc3)c4c(c([nH]n4)N)C#N)CN5CCOCC5
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
6QR9	Download	Experimental	e6qr9B1 e6qr9A1	alpha/beta knot alpha/beta knot	LigPlot