Ligand name: benzyl [(1S,4S,7S,8R,9R,10S,13S,16S)-7,10-dibenzyl-8,9-dihydroxy-1,16-dimethyl-4,13-bis(1-methylethyl)-2,5,12,15,18-pentaoxo-20-phenyl-19-oxa-3,6,11,14,17-pentaazaicos-1-yl]carbamate
PDB ligand accession: 3TL
DrugBank: n/a
PubChem: 5481249
ChEMBL: CHEMBL449611
InChI Key: BJJPNOGMLLUCER-KUTQPOQPSA-N
SMILES: CC(C)C(C(=O)NC(Cc1ccccc1)C(C(C(Cc2ccccc2)NC(=O)C(C(C)C)NC(=O)C(C)NC(=O)OCc3ccccc3)O)O)NC(=O)C(C)NC(=O)OCc4ccccc4
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 P12499

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
4K4R	Download	Experimental	e4k4rA1 e4k4rB1	cradle loop barrel cradle loop barrel	LigPlot
4K4Q	Download	Experimental	e4k4qA1 e4k4qB1	cradle loop barrel cradle loop barrel	LigPlot
4K4P	Download	Experimental	e4k4pA1 e4k4pB1	cradle loop barrel cradle loop barrel	LigPlot