+Open data
-Basic information
Entry | Database: PDB chemical components / ID: U4K |
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Name | Name: Synonyms: (Isoquinolin-1-ylsulfanyl)-acetic acid; 2-(Isoquinolin-1-ylthio)acetic acid |
-Chemical information
Composition | Formula: C11H9NO2S / Number of atoms: 24 / Formula weight: 219.26 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: U4K / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7BN5 | ||||
History |
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External links | UniChem / ChemSpider / ChEMBL / PubChem / ZINC / 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-7bn5:
Notum fragment_1 (2-(isoquinolin-1-ylsulfanyl)acetic acid)