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Yorodumi- ChemComp-88K: (3S,5R,8R,9R,10R,12R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2R... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 88K |
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Name | Name: ( Synonyms: Panaxadiol |
-Chemical information
Composition | Formula: C30H52O3 / Number of atoms: 85 / Formula weight: 460.732 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 88K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7W3P | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / LipidMaps / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7w3p:
Crystal structure of RORgamma in complex with natural inverse agonist