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Yorodumi- ChemComp-SQ2: 2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: SQ2 |
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Name | Name: Synonyms: 2-(benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethanone |
-Chemical information
Composition | Formula: C14H18N4O / Number of atoms: 37 / Formula weight: 258.319 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: SQ2 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7B2J | ||||
History |
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External links | UniChem / PubChem / ChemSpider / 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 2 items
PDB-7b2j:
Crystal Structure of SARS-CoV-2 main protease (Nsp5) in complex with compound 5
PDB-7gg9:
Group deposition SARS-CoV-2 main protease in complex with inhibitors from the COVID Moonshot -- Crystal Structure of SARS-CoV-2 main protease in complex with ANT-DIA-62e4526e-1 (Mpro-x12204)