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Yorodumi- ChemComp-HJ9: [4-[5-[5-(dimethylcarbamoyl)pyridin-3-yl]-1H-pyrrolo[2,3-b]pyridi... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: HJ9 |
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Name | Name: [ |
-Chemical information
Composition | Formula: C23H21BN4O5 / Number of atoms: 54 / Formula weight: 444.248 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: HJ9 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7DT2 | ||||
History |
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External links | UniChem / ChemSpider / PubChem / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-PDB entries
Showing all 1 items
PDB-7dt2:
Strategic design of catalytic lysine-targeting reversible covalent BCR-ABL Inhibitors