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Yorodumi- ChemComp-0JE: 3-[5-(5-ethoxy-6-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-4-yl]-1,... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 0JE |
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Name | Name: |
-Chemical information
Composition | Formula: C17H21FN6O2 / Number of atoms: 47 / Formula weight: 360.386 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 0JE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3VF8 | ||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / SureChEMBL / ZINC / ChemSpider / 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 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.6 | |
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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 1.7.6 | |
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-PDB entries
Showing all 1 items
PDB-3vf8:
Crystal Structure of Spleen Tyrosine Kinase Syk Catalytic Domain with Pyrazolylbenzimidazole Inhibitor 416