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- ChemComp-DNQ: 6,7-DINITROQUINOXALINE-2,3-DIONE -

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Basic information

EntryDatabase: PDB chemical components / ID: DNQ
NameName: 6,7-dinitroquinoxaline-2,3-dione / Synonyms: DNQX

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Chemical information

Composition
Formula: C8H2N4O6 / Number of atoms: 20 / Formula weight: 250.125 / Formal charge: 0
Others

1ftl

Type: NON-POLYMER / PDB classification: HETAIN / Three letter code: DNQ / Model coordinates PDB-ID: 1FTL
History
Create componentSep 27, 2000
Modify descriptorJun 4, 2011
Modify synonymsMar 1, 2021
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04[O-][N+](=O)C=2C(=CC1=NC(=O)C(=O)N=C1C=2)[N+]([O-])=O
CACTVS 3.341[O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1[N+]([O-])=O
OpenEye OEToolkits 1.5.0C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]

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SMILES CANONICAL

CACTVS 3.341[O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1[N+]([O-])=O
OpenEye OEToolkits 1.5.0C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]

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InChI

InChI 1.03InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H

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InChIKey

InChI 1.03YEUPBRRGMWBCEB-UHFFFAOYSA-N

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SYSTEMATIC NAME

ACDLabs 10.046,7-dinitroquinoxaline-2,3-dione
OpenEye OEToolkits 1.5.06,7-dinitroquinoxaline-2,3-dione

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PDB entries

Showing all 5 items

PDB-1ftl:
CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH THE ANTAGONIST DNQX AT 1.8 A RESOLUTION

PDB-1lb9:
Crystal structure of the Non-desensitizing GluR2 ligand binding core mutant (S1S2J-L483Y) in complex with antagonist DNQX at 2.3 A resolution

PDB-4l17:
GluA2-L483Y-A665C ligand-binding domain in complex with the antagonist DNQX

PDB-8fwu:
Structure of the ligand-binding and transmembrane domains of kainate receptor GluK2 in complex with the positive allosteric modulator BPAM344 and competitive antagonist DNQX

PDB-8opy:
Structure of Mycobacterium tuberculosis beta-oxidation trifunctional enzyme in complex with Fragment-B-DNQ

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