+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 2BS |
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Name | Name: Synonyms: 2-amino-benzothiazole-6-carboxylic acid ethyl ester |
-Chemical information
Composition | Formula: C10H10N2O2S / Number of atoms: 25 / Formula weight: 222.264 / Formal charge: 0 | ||||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 2BS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3KID | ||||||||
History |
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External links | UniChem / ChemSpider / ChEMBL / ChemicalBook / CompTox / NMRShiftDB / Nikkaji / PubChem / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.352 | OpenEye OEToolkits 1.7.0 | |
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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-3kid:
The Crystal Structures of 2-Aminobenzothiazole-based Inhibitors in Complexes with Urokinase-type Plasminogen Activator