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Yorodumi- ChemComp-FNO: 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphtha... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: FNO |
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Name | Name: Synonyms: shikonin |
-Chemical information
Composition | Formula: C16H16O5 / Number of atoms: 37 / Formula weight: 288.295 / Formal charge: 0 | ||||||||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: FNO / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7CA8 | ||||||||||||||
History |
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External links | UniChem / ChemSpider / ChEBI / ChEMBL / ChemicalBook / CompTox / KEGG_Ligand / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / 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 4 items
PDB-7ca8:
The crystal structure of COVID-19 main protease in complex with an inhibitor Shikonin
PDB-7eo7:
Crystal structure of HCoV-NL63 3C-like protease in complex with an inhibitor Shikonin
PDB-7eo8:
Crystal structure of SARS coronavirus main protease in complex with an inhibitor Shikonin
PDB-7x8i:
Crystal structure of AtHPPD-Shikonin complex