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Yorodumi- ChemComp-K5I: 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfan... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: K5I |
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Name | Name: |
-Chemical information
Composition | Formula: C19H11F3N2O2S2 / Number of atoms: 39 / Formula weight: 420.428 / Formal charge: 0 | ||||||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: K5I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 7ZWS | ||||||||
History |
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External links | BindingDB / UniChem / ChEMBL / PubChem / SureChEMBL / 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-7zws:
Crystal structure of human BCL6 BTB domain in complex with compound 13