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Yorodumi- ChemComp-P8N: (~{E})-3-[4-[[2-[(9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-th... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: P8N |
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Name | Name: (~{ Synonyms: TW22 |
-Chemical information
Composition | Formula: C29H27ClN6O3S / Number of atoms: 67 / Formula weight: 575.081 / Formal charge: 0 | ||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: P8N / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6YQP | ||||||
History |
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External links | UniChem / 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 2.0.7 | |
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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-6yqp:
Crystal structure of the first bromodomain of human BRD4 in complex with the dual inhibitor TW22