Ligand name: methyl [(4S)-4-{(3R)-1-[(3S)-4-amino-3-hydroxybutanoyl]piperidin-3-yl}-4-(3'-ethyl-6-fluoro[1,1'-biphenyl]-2-yl)-4-hydroxybutyl]carbamate
PDB ligand accession: 9JD
DrugBank: n/a
PubChem: 59620436
ChEMBL: n/a
InChI Key: IIIBTAZKWKWKNG-AFKLWXAFSA-N
SMILES: CCc1cccc(c1)c2c(cccc2F)C(CCCNC(=O)OC)(C3CCCN(C3)C(=O)CC(CN)O)O
Drug action: n/a

ClassyFire chemical classification:

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

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
5VRP	Download	Experimental	e5vrpA1 e5vrpA2 e5vrpB1 e5vrpB2	cradle loop barrel cradle loop barrel cradle loop barrel cradle loop barrel	LigPlot