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Yorodumi- ChemComp-BUX: 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BUX |
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Name | Name: |
-Chemical information
Composition | Formula: C13H6Cl2N2O4 / Number of atoms: 27 / Formula weight: 325.104 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BUX / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6JKE | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / ZINC / ChemSpider / 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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-PDB entries
Showing all 3 items
PDB-6jke:
Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2.
PDB-7env:
crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1).
PDB-7eo5:
Crystal structure of pyrano 1,3, oxazine derivative in complex with the second bromodomain of BRD2