Ligand name: 3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine
PDB ligand accession: JDQ
DrugBank: n/a
PubChem: 139030488
ChEMBL: CHEMBL4537315
InChI Key: IXGUTMYAJBKSPV-UHFFFAOYSA-N
SMILES: c1ccc(cc1)Cn2ccc3c2cc(cc3)c4cc([nH]n4)N
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
6QQW	Download	Experimental	e6qqwA1 e6qqwB1	alpha/beta knot alpha/beta knot	LigPlot