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Yorodumi- ChemComp-A52: 3-AMINOMETHYL-7-(ETHOXY)-3H-BENZO[C][1,2]OXABOROL-1-OL modified a... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: A52 |
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Name | Name: |
-Chemical information
Composition | Formula: C20H23BN6O9P / Number of atoms: 60 / Formula weight: 533.216 / Formal charge: -3 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: A52 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5AGR | ||||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | [ | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | [ | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 1.7.6 | [( |
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-PDB entries
Showing all 1 items
PDB-5agr:
Crystal structure of the LeuRS editing domain of Mycobacterium tuberculosis in complex with the adduct (S)-3-(Aminomethyl)-7-ethoxybenzo[c][1,2]oxaborol-1(3H)-ol-AMP