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Yorodumi- ChemComp-NSR: (4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: NSR |
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Name | Name: ( |
-Chemical information
Composition | Formula: C19H15ClN2O2 / Number of atoms: 39 / Formula weight: 338.788 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: NSR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GEQ | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / PubChem / 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 2 items
PDB-7geq:
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 VLA-UCB-1dbca3b4-15 (Mpro-x11498)
PDB-7gfb:
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-b3e365b9-1 (Mpro-x11612)