Attributes
UniProt ID
Protein Name
CD1d1 antigen
Ligand Name
(5R,6S,7S)-5,6-dihydroxy-7-(octanoylamino)-N-(4-pentylphenyl)-8-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)te trahydro-2H-pyran-2-yl]oxy}octanamide
DrugBank ID
None
PDB Ligand Accession
ChEMBL ID
n/a
PubChem ID
n/a
InChIKey
QRKKVWUBZQVXAZ-CQFDOILESA-N
SMILES
CCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)Nc2ccc(cc2)CCCCC)O)O
Drug Action
No data available
Affinity Metrics
No affinity data available
3D Structure
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Structure: 6C6J
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Color Legend
Unassigned regionsLigand / hetero atomse6c6jA1e6c6jA2e6c6jB1
ECOD domains from experimental PDB structures interacting with ligand J76
| UniProt | DrugBank | PDB Ligand | PDB ID | ECOD Domain | Range Definition |
|---|---|---|---|---|---|
| A0A0R4J090 | n/a | J76 | 6c6j | e6c6jA2 | A:7-185 |