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Yorodumi- ChemComp-X77: N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyrid... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: X77 |
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Name | Name: |
-Chemical information
Composition | Formula: C27H33N5O2 / Number of atoms: 67 / Formula weight: 459.583 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: X77 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6W63 | ||||
History |
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External links | UniChem / PubChem / 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 1.03 |
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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 4 items
PDB-6w63:
Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77
PDB-6w79:
Structure of SARS-CoV main protease bound to potent broad-spectrum non-covalent inhibitor X77
PDB-6w81:
Structure of PEDV main protease bound to potent broad-spectrum non-covalent inhibitor X77
PDB-7phz:
Crystal structure of X77 bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in spacegroup P2(1)2(1)2(1).