Ligand name: METHYLLYCACONITINE
PDB ligand accession: MLK
DrugBank: n/a
PubChem: 5288811
ChEMBL: CHEMBL4454983
InChI Key: XLTANAWLDBYGFU-VTLKBQQISA-N
SMILES: CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)c7ccccc7N8C(=O)CC(C8=O)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Lipids and lipid-like molecules
    • Class: Prenol lipids
      • Subclass: Diterpenoids

List of PDB structures and/or AlphaFold models with target protein Q8WSF8

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
3SH1	Download	Experimental	e3sh1A1 e3sh1E1 e3sh1A1 e3sh1B1 e3sh1B1 e3sh1C1 e3sh1C1 e3sh1D1 e3sh1D1 e3sh1E1 e3sh1F1 e3sh1J1 e3sh1F1 e3sh1G1 e3sh1G1 e3sh1H1 e3sh1H1 e3sh1I1 e3sh1I1 e3sh1J1	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot
3SIO	Download	Experimental	e3sioA1 e3sioE1 e3sioA1 e3sioB1 e3sioB1 e3sioC1 e3sioC1 e3sioD1 e3sioD1 e3sioE1 e3sioF1 e3sioJ1 e3sioF1 e3sioG1 e3sioG1 e3sioH1 e3sioH1 e3sioI1 e3sioI1 e3sioJ1	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot
2BYR	Download	Experimental	e2byrA1 e2byrE1 e2byrA1 e2byrB1 e2byrB1 e2byrC1 e2byrC1 e2byrD1 e2byrD1 e2byrE1 e2byrF1 e2byrJ1 e2byrF1 e2byrG1 e2byrG1 e2byrH1 e2byrH1 e2byrI1 e2byrI1 e2byrJ1	Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich Immunoglobulin-like beta-sandwich	LigPlot