Ligand name: (betaS)-4-chloro-beta-(3,5-difluorophenyl)-N-(5-fluoro-4-{2-[(2R,5S)-5-({[(2,2,2-trifluoroethyl)carbamoyl]oxy}methyl)morpholin-2-yl]ethyl}pyridin-3-yl)-L-phenylalaninamide
PDB ligand accession: 6EE
DrugBank: n/a
PubChem: 86578079
ChEMBL: CHEMBL3828743
InChI Key: OUUHZXOSBUCFJO-ZKBLBJRCSA-N
SMILES: c1cc(ccc1C(c2cc(cc(c2)F)F)C(C(=O)Nc3cncc(c3CCC4CNC(CO4)COC(=O)NCC(F)(F)F)F)N)Cl
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein C8B467

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5IVT	Download	Experimental	e5ivtA1 e5ivtB1	cradle loop barrel cradle loop barrel	LigPlot