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Yorodumi- ChemComp-S1K: 2-(5-(benzyloxy)-1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-3-yl)... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S1K |
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Name | Name: Synonyms: 2-[(3S)-1-oxidanyl-5-phenylmethoxy-3H-2,1-benzoxaborol-3-yl]ethanoic acid |
-Chemical information
Composition | Formula: C16H15BO5 / Number of atoms: 37 / Formula weight: 298.098 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S1K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7AUB | ||||
History |
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External links | UniChem / ChEMBL / 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-7aub:
Structure of P. aeruginosa PBP3 in complex with a benzoxaborole (Compound 15)