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Yorodumi- ChemComp-KBI: trans-4-({9-[(3S)-tetrahydrofuran-3-yl]-8-[(2,4,6-trifluorophenyl... -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: KBI |
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Name | Name: |
-Chemical information
Composition | Formula: C21H23F3N6O2 / Number of atoms: 55 / Formula weight: 448.442 / Formal charge: 0 | ||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: KBI / Ideal coordinates details: Corina / Model coordinates PDB-ID: 3TTI | ||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / ChemicalBook / DrugBank / PubChem_TPharma / SureChEMBL / ZINC / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
ACDLabs 12.01 | CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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-SMILES CANONICAL
CACTVS 3.370 | OpenEye OEToolkits 1.7.2 | |
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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 1.7.2 | |
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-PDB entries
Showing all 1 items
PDB-3tti:
Crystal Structure of JNK3 complexed with CC-930, an orally active anti-fibrotic JNK inhibitor