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Yorodumi- ChemComp-OVX: 1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: OVX |
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Name | Name: |
-Chemical information
Composition | Formula: C20H16ClN3O2 / Number of atoms: 42 / Formula weight: 365.813 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: OVX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7GGG | ||||
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 2 items
PDB-7ggg:
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 ERI-UCB-d6de1f3c-2 (Mpro-x12582)
PDB-7ghs:
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 ERI-UCB-d6de1f3c-2 (Mpro-P0018)