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Yorodumi- ChemComp-WSR: (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: WSR |
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Name | Name: ( |
-Chemical information
Composition | Formula: C25H41FO5S / Number of atoms: 73 / Formula weight: 472.653 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: WSR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8ESG | ||||
History |
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External links | UniChem / ChemSpider / SureChEMBL / 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 1.06 |
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-InChIKey
InChI 1.06 |
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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-8esg:
Bile Salt Hydrolase B from Lactobacillus gasseri with covalent inhibitor bound
PDB-8esi:
Bile Salt Hydrolase from B. longum with covalent inhibitor bound
PDB-8esl:
Bile Salt Hydrolase from a Bacteroidales species with covalent inhibitor bound
PDB-8vsy:
Bile salt hydrolase from Arthrobacter citreus with covalent inhibitor AAA-10 bound