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Yorodumi- ChemComp-QKR: 2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: QKR |
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Name | Name: |
-Chemical information
Composition | Formula: C17H10Cl2F2N2O / Number of atoms: 34 / Formula weight: 367.177 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: QKR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GJ8 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / 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-7gj8:
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 MAT-POS-fce787c2-6 (Mpro-P0185)