Ligand name: (12S,15S)-N-[(2-fluorophenyl)methyl]-10,13-dioxo-12-{2-oxo-2-[(2R)-2-phenylpyrrolidin-1-yl]ethyl}-2-oxa-11,14-diazatricyclo[15.2.2.1~3,7~]docosa-1(19),3(22),4,6,17,20-hexaene-15-carboxamide
PDB ligand accession: U5Y
DrugBank: n/a
PubChem: 138550006
ChEMBL: CHEMBL5069975
InChI Key: GSMYFOQUVZHNEZ-PUPDPRJKSA-N
SMILES: c1ccc(cc1)C2CCCN2C(=O)CC3C(=O)NC(Cc4ccc(cc4)Oc5cccc(c5)CCC(=O)N3)C(=O)NCc6ccccc6F
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 A5U4D6

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
6WNK	Download	Experimental	e6wnkH1 e6wnkI1 e6wnkI1 e6wnkJ1 e6wnkJ1 e6wnkK1 e6wnkK1 e6wnkL1 e6wnkL1 e6wnkM1 e6wnkM1 e6wnkN1 e6wnkH1 e6wnkN1 e6wnkV1 e6wnkW1 e6wnkW1 e6wnkX1 e6wnkX1 e6wnkY1 e6wnkY1 e6wnkZ1 e6wnkZ1 e6wnka1 e6wnka1 e6wnkb1 e6wnkV1 e6wnkb1	Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C Ntn/PP2C	LigPlot