Ligand name: [7-benzyl-2-(5-fluoro-2-methylphenoxy)-1-phenyl-1H-pyrrolo[2,3-c]pyridin-3-yl](piperazin-1-yl)methanone
PDB ligand accession: S53
DrugBank: n/a
PubChem: 53346499
ChEMBL: CHEMBL1825187
InChI Key: UIBPLELQTBSRIZ-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1Oc2c(c3ccnc(c3n2c4ccccc4)Cc5ccccc5)C(=O)N6CCNCC6)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Pyrroles
      • Subclass: Substituted pyrroles

List of PDB structures and/or AlphaFold models with target protein P00797

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SFC	Download	Experimental	e3sfcA2 e3sfcA3 e3sfcB2 e3sfcB3	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot