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Yorodumi- ChemComp-BQE: (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: BQE |
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Name | Name: (~{ |
-Chemical information
Composition | Formula: C23H30F2N6O2S / Number of atoms: 64 / Formula weight: 492.585 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: BQE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6EPR | ||||
History |
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External links | UniChem / BindingDB / ChEMBL / PubChem / 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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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.6 | (~{ |
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-PDB entries
Showing all 1 items
PDB-6epr:
The ATAD2 bromodomain in complex with compound UZH-DS15