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Yorodumi- ChemComp-SRE: (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphtha... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: SRE | ||
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Name | Name: ( Synonyms: Sertraline Comment | antidepressant, inhibitor*YM | |
-Chemical information
Composition | Formula: C17H17Cl2N / Number of atoms: 37 / Formula weight: 306.23 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: SRE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3GWU | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / ChemicalBook / CompTox / DailyMed / DrugBank / GtoPharmacology / HMDB / KEGG_Ligand / Nikkaji / PubChem / PubChem_TPharma / SureChEMBL / ZINC / 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 6 items
PDB-3gwu:
Leucine transporter LeuT in complex with sertraline
PDB-4mm5:
Crystal structure of LeuBAT (delta13 mutant) in complex with sertraline
PDB-4mmb:
Crystal structure of LeuBAT (delta6 mutant) in complex with sertraline
PDB-6awo:
X-ray structure of the ts3 human serotonin transporter complexed with sertraline at the central site
PDB-6awq:
Anomalous chloride signal reveals the position of sertraline complexed with the serotonin transporter at the central site
PDB-6f6n:
CRYSTAL STRUCTURE OF EBOLAVIRUS GLYCOPROTEIN IN COMPLEX WITH SERTRALINE