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Yorodumi- ChemComp-446: 4-[(4-{[6-bromo-3-(methoxycarbonyl)-1-oxo-4-phenylisoquinolin-2(1... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 446 |
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Name | Name: |
-Chemical information
Composition | Formula: C28H23BrN2O6 / Number of atoms: 60 / Formula weight: 563.396 / Formal charge: 0 | ||||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 446 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 2ZDU | ||||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 10.04 | CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-SMILES CANONICAL
CACTVS 3.341 | OpenEye OEToolkits 1.5.0 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
ACDLabs 10.04 | OpenEye OEToolkits 1.5.0 | |
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-PDB entries
Showing all 1 items
PDB-2zdu:
Crystal Structure of human JNK3 complexed with an isoquinolone inhibitor