+Open data
-Basic information
Entry | Database: PDB chemical components / ID: S7Y | ||||
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Name | Name: Synonyms: 5-methyl-2-[(4-methyl-1~{H}-imidazol-5-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one Wikipedia | Wikipedia - Alosetron: Alosetron, sold under the brand name Lotronex among others, is a 5-HT3 antagonist used for the management of severe diarrhea-predominant irritable bowel syndrome (IBS) in females only.
| It was patented in 1987 and approved for medical use in 2002. It is currently marketed by Prometheus Laboratories Inc... Comment | antagonist*YM | |
-Chemical information
Composition | Formula: C17H18N4O / Number of atoms: 40 / Formula weight: 294.351 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: S7Y / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6W1J | ||||||
History |
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External links | UniChem / BindingDB / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / 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-6w1j:
Cryo-EM structure of 5HT3A receptor in presence of Alosetron