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Yorodumi- ChemComp-5QR: 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid -
+Open data
-Basic information
Entry | Database: PDB chemical components / ID: 5QR |
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Name | Name: |
-Chemical information
Composition | Formula: C14H12N2O4 / Number of atoms: 32 / Formula weight: 272.256 / Formal charge: 0 | ||||
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Others | Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: 5QR / Ideal coordinates details: Corina / Model coordinates PDB-ID: 5EP7 | ||||
History |
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External links | UniChem / ChemSpider / BindingDB / ChEMBL / PubChem / SureChEMBL / Wikipedia search / Google search |
-Structure visualization
Structure viewer | Molecule: MolmilJmol/JSmol |
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-Details
-SMILES
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-SMILES CANONICAL
CACTVS 3.385 | OpenEye OEToolkits 2.0.4 | |
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-InChI
InChI 1.03 |
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-InChIKey
InChI 1.03 |
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-SYSTEMATIC NAME
OpenEye OEToolkits 2.0.4 |
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-PDB entries
Showing all 1 items
PDB-5ep7:
Crystal structure of the bromodomain of human CREBBP in complex with UN32