Ligand name: 5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide
PDB ligand accession: Y54
DrugBank: n/a
PubChem: 155801621
ChEMBL: CHEMBL5085054
InChI Key: IGVYCVBUHQMNRZ-QNIAMRLHSA-N
SMILES: Cc1ccc(cc1C(=O)NC(C)c2cccc(c2)c3ccc(s3)CNC4CCC(C4)O)NC5CNC5
Drug action: n/a

ClassyFire chemical classification:

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

List of PDB structures and/or AlphaFold models with target protein P0DTC1

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7LLF	Download	Experimental	e7llfA2 e7llfB1	Cysteine proteinases-like Cysteine proteinases-like	LigPlot