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Yorodumi- ChemComp-LE6: (2S,3R,4R,5S,6R)-2-[4-chloranyl-3-[(4-ethoxyphenyl)methyl]phenyl]... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: LE6 |
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Name | Name: ( Synonyms: Dapagliflozin |
-Chemical information
Composition | Formula: C21H25ClO6 / Number of atoms: 53 / Formula weight: 408.873 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: LE6 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8HEZ | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / ChemicalBook / DailyMed / DrugBank / GtoPharmacology / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8hez:
Structure of human SGLT2-MAP17 complex with Dapagliflozin