Ligand name: (1-{[(10-tert-butyl-15,15-dimethyl-3,9,12-trioxo-6,7,9,10,11,12,14,15,16,17,18,19,23,23a-tetradecahydro-1H,5H-2,23:5,8-dimethano-4,13,2,8,11-benzodioxatriazacyclohenicosin-7(3H)-yl)carbonyl]amino}-3-hydroxypropyl)(trihydroxy)borate(1-)
PDB ligand accession: TR8
DrugBank: n/a
PubChem: 138753357
ChEMBL: n/a
InChI Key: TWUMYENOHGWFCN-UHFFFAOYSA-N
SMILES: [B-](C(CCO)NC(=O)C1CC2CN1C(=O)C(NC(=O)OCC(CCCCC3=CC=CC4C3CN(C4)C(=O)O2)(C)C)C(C)(C)C)(O)(O)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 C1KHZ7

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
2XNI	Download	Experimental	e2xniA1	cradle loop barrel	LigPlot