+Open data
-Basic information
Entry | Database: PDB chemical components / ID: AT3 |
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Name | Name: Synonyms: 2-{[(1S)-1-HYDROXYETHYL]THIO}-N,N,N-TRIMETHYLETHANAMINIUM |
-Chemical information
Composition | Formula: C7H16NOS / Number of atoms: 26 / Formula weight: 162.273 / Formal charge: 1 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: AT3 / Model coordinates PDB-ID: 2C4H | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEMBL / CompTox / NMRShiftDB / 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-2c4h:
Torpedo californica acetylcholinesterase in complex with 500mM acetylthiocholine
PDB-2c58:
Torpedo californica acetylcholinesterase in complex with 20mM acetylthiocholine
PDB-2ha5:
Crystal structure of mutant S203A of acetylcholinesterase complexed with acetylthiocholine
PDB-6uqy:
Crystal structure of ChoE H288N mutant in complex with acetylthiocholine
PDB-6ur1:
Crystal structure of ChoE S38A mutant in complex with acetate and acetylthiocholine
PDB-8d8y:
Crystal structure of ChoE N147A mutant in complex with acetylthiocholine