+Open data
-Basic information
Entry | Database: PDB chemical components / ID: SNL | ||||
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Name | Name: Synonyms: 17-HYDROXY-7ALPHA-MERCAPTO-3-OXO-17ALPHA-PREGN-4-ENE-21- CARBOXYLIC ACID; GAMMA-LACTONE ACETATE Wikipedia | Wikipedia - Spironolactone: |
Spironolactone, sold under the brand name Aldactone among others, is a diuretic medication primarily used to treat fluid build-up due to heart failure, liver scarring, or kidney disease. It is also used in the treatment of high blood pressure, and low blood potassium that does not improve with supplementation... Comment | medication*YM | |
-Chemical information
Composition | Formula: C24H32O4S / Number of atoms: 61 / Formula weight: 416.573 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SNL / Model coordinates PDB-ID: 2AB2 | ||||||
History |
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External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / 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 5 items
PDB-2ab2:
Mineralocorticoid Receptor Double Mutant with Bound Spironolactone
PDB-2oax:
Crystal structure of the S810L mutant mineralocorticoid receptor associated with SC9420
PDB-3vhu:
Mineralocorticoid receptor ligand-binding domain with spironolactone
PDB-8jtz:
hOCT1 in complex with spironolactone in outward facing partially occluded conformation
PDB-8ju0:
hOCT1 in complex with spironolactone in inward facing occluded conformation