+Open data
-Basic information
Entry | Database: PDB chemical components / ID: J5I |
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Name | Name: |
-Chemical information
Composition | Formula: C10H9NO / Number of atoms: 21 / Formula weight: 159.185 / Formal charge: 0 | ||||
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Others | Type: non-polymer / PDB classification: HETAIN / Three letter code: J5I / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5A5O | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / Brenda / ChEBI / ChEMBL / KEGG_Ligand / Nikkaji / PubChem / Rhea / SureChEMBL / ZINC / 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-5a5o:
Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 1,2-dihydroquinolin-2-one