Ligand name: (6~{a}~{R},9~{R},10~{a}~{R})-9-(hydroxymethyl)-3-(8-isothiocyanato-2-methyl-octan-2-yl)-6,6-dimethyl-6~{a},7,8,9,10,10~{a}-hexahydrobenzo[c]chromen-1-ol
PDB ligand accession: 8D0
DrugBank: n/a
PubChem: 102336704
ChEMBL: CHEMBL5085420
InChI Key: JCIYJYHFBBXSBF-HMXCVIKNSA-N
SMILES: CC1(C2CCC(CC2c3c(cc(cc3O1)C(C)(C)CCCCCCN=C=S)O)CO)C
Drug action: n/a

ClassyFire chemical classification:

• Kingdom: Organic compounds
  • Superclass: Organoheterocyclic compounds
    • Class: Benzopyrans
      • Subclass: 1-benzopyrans

List of PDB structures and/or AlphaFold models with target protein P21554

PDB/AF Accession	PyMOL script	Experimental / Predicted	Interacting ECOD domains	ECOD X-group name	LigPlot
5XR8	Download	Experimental	e5xr8A2	Family A G protein-coupled receptor-like	LigPlot
6KPG	Download	Experimental	e6kpgR1	Family A G protein-coupled receptor-like	LigPlot