Ligand name: (2R)-({N-[(3S)-3-({[(3S,6S)-6-CYCLOHEXYL-5,8-DIOXO-4,7-DIAZABICYCLO[14.3.1]ICOSA-1(20),16,18-TRIEN-3-YL]CARBONYL}AMINO)-2-OXOHEXANOYL]GLYCYL}AMINO)(PHENYL)ACETIC ACID
PDB ligand accession: FNH
DrugBank: n/a
PubChem: 11840943
ChEMBL: n/a
InChI Key: MRGBFMHIJSOQIX-IMJQVECRSA-N
SMILES: CCCC(C(=O)C(=O)NCC(=O)NC(c1ccccc1)C(=O)O)NC(=O)C2Cc3cccc(c3)CCCCCCCC(=O)NC(C(=O)N2)C4CCCCC4
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organic acids and derivatives
    • Class: Carboxylic acids and derivatives
      • Subclass: Amino acids, peptides, and analogues

List of PDB structures and/or AlphaFold models with target protein Q91RS4

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2A4Q	Download	Experimental	e2a4q.2	cradle loop barrel	LigPlot