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Yorodumi- ChemComp-EHB: (1Z)-1-(3-ethyl-5-hydroxy-1,3-benzothiazol-2(3H)-ylidene)propan-2-one -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: EHB |
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Name | Name: ( |
-Chemical information
Composition | Formula: C12H13NO2S / Number of atoms: 29 / Formula weight: 235.302 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: EHB / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3ANQ | ||||||
History |
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External links | UniChem / ChemSpider / ChEBI / ChEMBL / Metabolights / 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 3.370 | OpenEye OEToolkits 1.7.0 | |
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-SMILES CANONICAL
CACTVS 3.370 | 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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-SYSTEMATIC NAME
ACDLabs 12.01 | (OpenEye OEToolkits 1.7.0 | ( | |
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-PDB entries
Showing all 1 items
PDB-3anq:
human DYRK1A/inhibitor complex