Ligand name: N-[(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-1-(3,5-difluorophenyl)-3-hydroxybutan-2-yl]-2-[(3S,3aR,5S,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl]acetamide
PDB ligand accession: G6R
DrugBank: n/a
PubChem: 146672921
ChEMBL: n/a
InChI Key: BDFWTUGFCVLPRW-KVUOCWAWSA-N
SMILES: CC(C)CN(CC(C(Cc1cc(cc(c1)F)F)NC(=O)CC2C3CC4C2COC4OC3)O)S(=O)(=O)c5ccc6c(c5)sc(n6)NC7CC7
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein Q5RZ08

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6VCE	Download	Experimental	e6vceA1 e6vceB1	cradle loop barrel cradle loop barrel	LigPlot