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Yorodumi- ChemComp-105: N-[5-METHYL-3-O-TOLYL-ISOXAZOLE-4-CARBOXYLIC ACID AMIDE] BORONIC ACID -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 105 |
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Name | Name: Synonyms: CLOXACILLIN DERIVATIVE |
-Chemical information
Composition | Formula: C12H12BClN2O4 / Number of atoms: 32 / Formula weight: 294.499 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 105 / Model coordinates PDB-ID: 1FSY | ||||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / Nikkaji / PubChem / PubChem_TPharma / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | [({[OpenEye OEToolkits 1.5.0 | [[ | |
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-PDB entries
Showing all 3 items
PDB-1fsy:
AMPC BETA-LACTAMASE FROM E. COLI COMPLEXED WITH INHIBITOR CLOXACILLINBORONIC ACID
PDB-1jwz:
Crystal structure of TEM-64 beta-lactamase in complex with a boronic acid inhibitor (105)
PDB-1nyy:
Crystal Structure of the complex between M182T mutant of TEM-1 and a boronic acid inhibitor (105)