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Yorodumi- ChemComp-E6R: 1-(2-hydroxyethyl)-4-methyl-N-(4-methylsulfonylphenyl)-5-[2-(trif... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: E6R | ||||
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Name | Name: Synonyms: esaxerenone Wikipedia | Wikipedia - Esaxerenone: Esaxerenone is a nonsteroidal antimineralocorticoid which was discovered by Exelixis and developed by Daiichi Sankyo Company and is approved in Japan for the treatment of hypertension. It acts as a highly selective silent antagonist of the mineralocorticoid receptor (MR), the receptor for aldosterone, with greater than 1,000-fold selectivity for this receptor over other steroid hormone receptors, and 4-fold and 76-fold higher affinity for the MR relative to the existing antimineralocorticoids spironolactone and eplerenone... | Comment | antagonist, hormone*YM | |
-Chemical information
Composition | Formula: C22H21F3N2O4S / Number of atoms: 53 / Formula weight: 466.473 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: E6R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6L88 | ||||||
History |
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External links | BindingDB / UniChem / ChEMBL / ChemicalBook / DrugBank / GtoPharmacology / HMDB / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / ChemSpider / 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 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-6l88:
Crystal structure of mineralocorticoid receptor ligand binding domain in complex with esaxerenone