Ligand name: methyl {(1S,2R)-2-[(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-{1-[(3-methoxy-1-{4-[(1S,4S)-5-propanoyl-2,5-diazabicyclo[2.2.1]heptane-2-sulfonyl]phenyl}azetidin-3-yl)methyl]piperidin-4-yl}ethyl]cyclopentyl}carbamate
PDB ligand accession: YQV
DrugBank: n/a
PubChem: 156587362
ChEMBL: CHEMBL5081163
InChI Key: STSQDMRLPJISBS-SZDLQPMWSA-N
SMILES: CCC(=O)N1CC2CC1CN2S(=O)(=O)c3ccc(cc3)N4CC(C4)(CN5CCC(CC5)C(CN6CCC6)(c7cccc(c7)F)C8CCCC8NC(=O)OC)OC
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein O00255

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7M4T	Download	Experimental	e7m4tA1 e7m4tA2	Repetitive alpha hairpins Cysteine proteinases-like	LigPlot