DrugDomain logoDrugDomain

Attributes

UniProt ID
Protein Name
Nuclear receptor ROR-gamma
Ligand Name
(1R,2S,4S,5'R,6R,7S,8R,9S,10R,12S,13S,16S,18S)-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.0^{2,9}.0^{4,8}.0^{13,18}]icosane-6,2'-oxane]-10,16-diol
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
BQNMOLSYHYSCMS-TUUYSWIFSA-N
SMILES
CC1CCC2(C(C3C(O2)CC4C3(C(CC5C4CCC6C5(CCC(C6)O)C)O)C)C)OC1
Drug Action
No data available
Affinity Metrics
No affinity data available

3D Structure

Interactive Mol* view for the current protein-molecule pair.

Structure: 5X8Q
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Color Legend
Unassigned regionsLigand / hetero atomse5x8qA1e5x8qC1e5x8qE1e5x8qG1
ECOD domains from experimental PDB structures interacting with ligand 82R
UniProtDrugBankPDB LigandPDB IDECOD DomainRange Definition
P51449n/a82R5x8qe5x8qA1A:266-493
P51449n/a82R5x8qe5x8qC1C:266-493
P51449n/a82R5x8qe5x8qE1E:266-493
P51449n/a82R5x8qe5x8qG1G:266-493