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Yorodumi- ChemComp-YNS: 4-{5-[6-(3,5-dimethylanilino)pyridin-2-yl]-4-methyl-1H-1,2,3-tria... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: YNS |
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Name | Name: |
-Chemical information
Composition | Formula: C22H28N8 / Number of atoms: 58 / Formula weight: 404.511 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: YNS / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7M16 | ||||
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
ACDLabs 12.01 | 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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-SYSTEMATIC NAME
ACDLabs 12.01 | OpenEye OEToolkits 2.0.7 | |
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-PDB entries
Showing all 1 items
PDB-7m16:
Triazole-based BET family bromodomain inhibitor bound to BRD4(D1)