+Open data
-Basic information
Entry | Database: PDB chemical components / ID: D8S |
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Name | Name: |
-Chemical information
Composition | Formula: C13H8O2S / Number of atoms: 24 / Formula weight: 228.266 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: D8S / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5FZC | ||||
History |
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External links | UniChem / PubChem / SureChEMBL / ZINC / ChemSpider / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 1.7.6 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 1.7.6 |
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-PDB entries
Showing all 1 items
PDB-5fzc:
Crystal structure of the catalytic domain of human JARID1B in complex with Maybridge fragment 4,5-dihydronaphtho(1,2-b)thiophene-2- carboxylicacid (N11181a) (ligand modelled based on PANDDA event map, SGC - Diamond I04-1 fragment screening)