Ligand name: (3~{E},5~{E},7~{E},9~{R},10~{R},11~{E},13~{E},17~{S},18~{S},20~{S})-18-methoxy-20-[(~{R})-[(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(2~{R})-3-methoxy-2-[(2~{R},4~{S},5~{S},6~{S})-5-[(2~{S},4~{R},5~{R},6~{R})-4-methoxy-6-methyl-5-oxidanyl-oxan-2-yl]oxy-4,6-dimethyl-4-oxidanyl-oxan-2-yl]oxy-propyl]-3,5-dimethyl-2,4-bis(oxidanyl)oxan-2-yl]-oxidanyl-methyl]-10-[(2~{R},3~{S},4~{S},5~{R},6~{S})-5-methoxy-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-3,5,7,9,13-pentamethyl-17-oxidanyl-1-oxacycloicosa-3,5,7,11,13-pentaen-2-one
PDB ligand accession: ZH7
DrugBank: n/a
PubChem: 11297771
ChEMBL: CHEMBL4096158
InChI Key: WILMROCKORZEMQ-AIUMZUNXSA-N
SMILES: CC1C=C(C=C(C=C(C(=O)OC(CC(C(CCC=C(C=CC1OC2C(C(C(C(O2)C)OC)O)O)C)O)OC)C(C3(C(C(C(C(O3)CC(COC)OC4CC(C(C(O4)C)OC5CC(C(C(O5)C)O)OC)(C)O)C)O)C)O)O)C)C)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Phenylpropanoids and polyketides
    • Class: Macrolides and analogues
      • Subclass: None

List of PDB structures and/or AlphaFold models with target protein A0A6A5PX46

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
7MD3	Download	Experimental	e7md3A2 e7md3C2 e7md3D2 e7md3F2 e7md3G1	C-terminal domain of alpha and beta subunits of F1 ATP synthase C-terminal domain of alpha and beta subunits of F1 ATP synthase C-terminal domain of alpha and beta subunits of F1 ATP synthase C-terminal domain of alpha and beta subunits of F1 ATP synthase ATP synthase (F1-ATPase), gamma subunit	LigPlot