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Yorodumi- ChemComp-B0R: 2,6-difluoro-N-(3-methoxy-2H-pyrazolo[3,4-b]pyridin-5-yl)-3-[(pro... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: B0R |
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Name | Name: |
-Chemical information
Composition | Formula: C17H17F2N5O4S / Number of atoms: 46 / Formula weight: 425.41 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: B0R / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3TV6 | ||
History |
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External links | BindingDB / UniChem / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / 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 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | |
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-PDB entries
Showing all 1 items
PDB-3tv6:
Human B-Raf Kinase Domain in Complex with a Methoxypyrazolopyridinyl Benzamide Inhibitor