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BioLiP

PDB CCD ID: DNQ
Number of entries in BioLiP: 13
Chemical formula: C8 H2 N4 O6
InChI: InChI=1S/C8H2N4O6/c13-7-8(14)10-4-2-6(12(17)18)5(11(15)16)1-3(4)9-7/h1-2H
InChIKey: YEUPBRRGMWBCEB-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=C(C(=CC2=NC(=O)C(=O)N=C21)[N+](=O)[O-])[N+](=O)[O-]
CACTVS 3.341[O-][N+](=O)C1=CC2=NC(=O)C(=O)N=C2C=C1[N+]([O-])=O
ACDLabs 10.04[O-][N+](=O)C=2C(=CC1=NC(=O)C(=O)N=C1C=2)[N+]([O-])=O
Name:6,7-DINITROQUINOXALINE-2,3-DIONE;
DNQX
ZINC: ZINC000003871177
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023)(download the PDF file).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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