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Yorodumi- ChemComp-QS3: (1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospir... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: QS3 |
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Name | Name: ( |
-Chemical information
Composition | Formula: C21H16ClN3O3 / Number of atoms: 44 / Formula weight: 393.823 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: QS3 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GK0 | ||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | 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 1.06 |
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-InChIKey
InChI 1.06 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.7 | ( | |
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-PDB entries
Showing all 1 items
PDB-7gk0:
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 BEN-BAS-c2bc0d80-7 (Mpro-P0765)