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Yorodumi- ChemComp-G82: ETHYL (5S,8S,11R)-8-BENZYL-5-(3-TERT-BUTOXY-3-OXOPROPYL)-3,6,9-TR... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: G82 |
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Name | Name: |
-Chemical information
Composition | Formula: C37H50N4O9 / Number of atoms: 100 / Formula weight: 694.814 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: G82 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ZVC | ||||
History |
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External links | UniChem / PubChem / ZINC / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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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 1.9.2 | |
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-PDB entries
Showing all 3 items
PDB-3tiu:
Crystal structure of SARS coronavirus main protease complexed with an alpha,beta-unsaturated ethyl ester inhibitor SG82
PDB-3zvc:
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 82
PDB-3zz8:
Crystal structure of 3C protease of coxsackievirus B3 complexed with alpha, beta-unsaturated ethyl ester inhibitor 82