+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 860 |
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Name | Name: |
-Chemical information
Composition | Formula: C17H13ClN2O / Number of atoms: 34 / Formula weight: 296.751 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: 860 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7S3S | ||||
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 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 3 items
PDB-7gdd:
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 ADA-UCB-6c2cb422-1 (Mpro-x10959)
PDB-7glp:
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 ADA-UCB-6c2cb422-1 (Mpro-P2005)
PDB-7s3s:
Room temperature X-ray structure of SARS-CoV-2 main protease in complex with compound Z1530724813