Ligand name: 5-azanyl-3-[1-[[(3~{R})-1-(phenylmethyl)piperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile
PDB ligand accession: JEQ
DrugBank: n/a
PubChem: 145997887
ChEMBL: n/a
InChI Key: RLAAKYCZJLWQDL-LJQANCHMSA-N
SMILES: c1ccc(cc1)CN2CCCC(C2)Cn3ccc4c3cc(cc4)c5c(c([nH]n5)N)C#N
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Piperidines
      • Subclass: Benzylpiperidines

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
6QRB	Download	Experimental	e6qrbA1 e6qrbB1	alpha/beta knot alpha/beta knot	LigPlot