+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 3WF | ||||
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Name | Name: Wikipedia | Wikipedia - Ethinylestradiol: |
Ethinylestradiol is an estrogen medication which is used widely in birth control pills in combination with progestins. In the past, EE was widely used for various indications such as the treatment of menopausal symptoms, gynecological disorders, and certain hormone-sensitive cancers... Comment | medication, hormone*YM | |
-Chemical information
Composition | Formula: C20H24O2 / Number of atoms: 46 / Formula weight: 296.403 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 3WF / Ideal coordinates details: Corina / Model coordinates PDB-ID: 4X1F | ||||
History |
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External links | UniChem / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / LipidMaps / NMRShiftDB / Nikkaji / PubChem / PubChem_TPharma / Rhea / SureChEMBL / ZINC / ChemSpider / 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 1.9.2 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.9.2 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.9.2 | ( | |
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-PDB entries
Showing all 3 items
PDB-4x1f:
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol
PDB-4x1g:
Crystal structure of the hPXR-LBD in complex with the synthetic estrogen 17alpha-ethinylestradiol and the pesticide trans-nonachlor
PDB-8ssh:
MtrR from Neisseria gonorrhoeae bound to Ethinyl Estradiol