Ligand name: methyl [(1S,2R)-2-{(1S)-2-(azetidin-1-yl)-1-(3-fluorophenyl)-1-[1-({1-[4-({1-[4-(piperidin-1-yl)butanoyl]azetidin-3-yl}sulfonyl)phenyl]azetidin-3-yl}methyl)piperidin-4-yl]ethyl}cyclopentyl]carbamate
PDB ligand accession: 7MM
DrugBank: n/a
PubChem: 146035889
ChEMBL: n/a
InChI Key: GTVICCKPEJAQFU-WRQZLFHVSA-N
SMILES: COC(=O)NC1CCCC1C(CN2CCC2)(c3cccc(c3)F)C4CCN(CC4)CC5CN(C5)c6ccc(cc6)S(=O)(=O)C7CN(C7)C(=O)CCCN8CCCCC8
Drug action: n/a

ClassyFire chemical classification:

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

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
6WNH	Download	Experimental	e6wnhA1 e6wnhA2	Repetitive alpha hairpins Cysteine proteinases-like	LigPlot