Ligand name: 5-[1-(pyridin-2-ylmethyl)indol-6-yl]-1~{H}-pyrazol-3-amine
PDB ligand accession: JCE
DrugBank: n/a
PubChem: 145997882
ChEMBL: CHEMBL4572807
InChI Key: QCOOOKJAGFXTOZ-UHFFFAOYSA-N
SMILES: c1ccnc(c1)Cn2ccc3c2cc(cc3)c4cc(n[nH]4)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
6QQX	Download	Experimental	e6qqxA1 e6qqxB1	alpha/beta knot alpha/beta knot	LigPlot