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Yorodumi- ChemComp-BW8: 2-[2-fluoranyl-4-[[2-fluoranyl-4-[2-(methylcarbamoyl)pyridin-4-yl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BW8 |
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Name | Name: |
-Chemical information
Composition | Formula: C22H18F2N4O5S / Number of atoms: 52 / Formula weight: 488.464 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BW8 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6ES0 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 |
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-PDB entries
Showing all 1 items
PDB-6es0:
Crystal structure of the kinase domain of human RIPK2 in complex with the activation loop targeting inhibitor CS-R35