Ligand name: [1-BENZYL-3-(8-SEC-BUTYL-7,10-DIOXO-2-OXA-6,9-DIAZA-BICYCLO[11.2.2] HEPTADECA-1(16),13(17),14-TRIEN-11-YLAMINO)-2-HYDROXY-PROPYL]-CARBAMIC ACID TERT-BUTYL ESTER
PDB ligand accession: PI6
DrugBank: n/a
PubChem: 444481
ChEMBL: n/a
InChI Key: RFUKEYSMPSCDLJ-CLFZCTPNSA-N
SMILES: CCC(C)C1C(=O)NCCCOc2ccc(cc2)CC(C(=O)N1)NCC(C(Cc3ccccc3)NC(=O)OC(C)(C)C)O
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 P03369

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
1B6M	Download	Experimental	e1b6mA1 e1b6mB1	cradle loop barrel cradle loop barrel	LigPlot
1MTR	Download	Experimental	e1mtrA1 e1mtrB1	cradle loop barrel cradle loop barrel	LigPlot