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Yorodumi- ChemComp-XR8: 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XR8 |
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Name | Name: |
-Chemical information
Composition | Formula: C28H34N4OS / Number of atoms: 68 / Formula weight: 474.661 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XR8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7LBS | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / 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 1 items
PDB-7lbs:
SARS-CoV-2 papain-like protease (PLpro) bound to inhibitor XR8-24