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Yorodumi- ChemComp-D7B: (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetra... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: D7B |
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Name | Name: ( |
-Chemical information
Composition | Formula: C26H31N3O2 / Number of atoms: 62 / Formula weight: 417.543 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: D7B / Ideal coordinates details: Corina / Model coordinates PDB-ID: 6FFG | ||||
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-6ffg:
Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone