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Yorodumi- ChemComp-S8B: ~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S8B |
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Name | Name: ~{ |
-Chemical information
Composition | Formula: C16H15N3O / Number of atoms: 35 / Formula weight: 265.31 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S8B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AWU | ||||
History |
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External links | BindingDB / UniChem / ChEMBL / GtoPharmacology / Nikkaji / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
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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-PDB entries
Showing all 1 items
PDB-7awu:
Structure of SARS-CoV-2 Main Protease bound to LSN2463359.