Ligand name: (3R,6R,9S,12S,15S,18S,20R,24aR)-6-[(2S)-butan-2-yl]-3,12-bis[(1R)-1-hydroxy-2-methylpropyl]-8,9,11,17,18-pentamethyl-15-[(2S)-2-methylbutyl]hexadecahydropyrido[1,2-a][1,4,7,10,13,16,19]heptaazacyclohenicosine-1,4,7,10,13,16,19(21H)-heptone
PDB ligand accession: YRB
DrugBank: n/a
PubChem: 167714258
ChEMBL: n/a
InChI Key: XAVQUYSPPUHEAK-ASAMJPPOSA-N
SMILES: CCC(C)CC1C(=O)N(C(C(=O)N2CCCCC2C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)C)O)C)C)C)C(C)CC)C(C(C)C)O)C)C
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 P68104

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
8G6J	Download	Experimental	e8g6jEF1 e8g6jEF2	P-loop domains-like cradle loop barrel	LigPlot