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Yorodumi- ChemComp-XHE: ~{N}-cyclopropyl-2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: XHE |
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Name | Name: ~{ |
-Chemical information
Composition | Formula: C28H32FN3O4 / Number of atoms: 68 / Formula weight: 493.57 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: XHE / Ideal coordinates details: Corina / Model coordinates PDB-ID: 8WY3 | ||||
History |
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External links | UniChem / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.7 | |
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-InChI
InChI 1.06 |
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-InChIKey
InChI 1.06 |
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-PDB entries
Showing all 1 items
PDB-8wy3:
Crystal Structure of the first bromodomain of human BRD4 in complex with the inhibitor 21