Ligand name: S-{1-[5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-3,7-dihydroxy-6,6-dimethyl-3-oxido-8,12 -dioxo-2,4-dioxa-9,13-diaza-3lambda~5~-phosphapentadecan-15-yl} (2S,6R)-6-[(8S,9S,10R,13R,14S,17R)-10,13-dimethyl-3-oxo-2,3,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta [a]phenanthren-17-yl]-2-methylheptanethioate (non-preferred name)
PDB ligand accession: 55X
DrugBank: n/a
PubChem: n/a
ChEMBL: n/a
InChI Key: VHFLMCCTKSGQAT-YKQRDCBHSA-N
SMILES: CC(CCCC(C)C(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OCC1C(C(C(O1)n2cnc3c2ncnc3N)O)OP(=O)(O)O)O)C4CCC5C4(CCC6C5CCC7=CC(=O)CCC67C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Steroids and steroid derivatives
      • Subclass: Steroidal glycosides

List of PDB structures and/or AlphaFold models with target protein P96856

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5CW8	Download	Experimental	e5cw8A1 e5cw8A2 e5cw8B1 e5cw8B2	Tetracyclin repressor-like, C-terminal domain HTH Tetracyclin repressor-like, C-terminal domain HTH	LigPlot