+Open data
-Basic information
Entry | Database: PDB chemical components / ID: TGI | ||
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Name | Name: Synonyms: (3R)-1-[4,4-bis(3-methylthiophen-2-yl)but-3-en-1-yl]piperidine-3-carboxylic acid; Gabitril Comment | medication*YM | |
-Chemical information
Composition | Formula: C20H25NO2S2 / Number of atoms: 50 / Formula weight: 375.548 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAD / Three letter code: TGI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7SK2 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEBI / ChEMBL / 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 12.01 | 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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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 2.0.7 | ( | |
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-PDB entries
Showing all 3 items
PDB-7sk2:
Human wildtype GABA reuptake transporter 1 in complex with tiagabine, inward-open conformation
PDB-7y7z:
Cryo-EM structure of human GABA transporter GAT1 bound with tiagabine in NaCl solution in an inward-open state at 3.2 angstrom
PDB-8wm3:
Cryo-EM structure of ACE2-SIT1 complex with tiagabine