Ligand name: 3,3'-difluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]biphenyl-4-carboxamide
PDB ligand accession: 18I
DrugBank: n/a
PubChem: 71677776
ChEMBL: CHEMBL2431546
InChI Key: QLYGOABRPGBQNG-MHZLTWQESA-N
SMILES: c1ccc2c(c1)c(c[nH]2)CC(C(=O)Nc3ccncc3)NC(=O)c4ccc(cc4F)c5cccc(c5)F
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Benzenoids
    • Class: Benzene and substituted derivatives
      • Subclass: Benzoic acids and derivatives

List of PDB structures and/or AlphaFold models with target protein Q385E8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4BJK	Download	Experimental	e4bjkA1 e4bjkB1 e4bjkC1 e4bjkD1	Cytochrome P450 Cytochrome P450 Cytochrome P450 Cytochrome P450	LigPlot