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BioLiP

PDB CCD ID: NIN
Number of entries in BioLiP: 3
Chemical formula: C6 H4 N2 O4
InChI: InChI=1S/C6H4N2O4/c9-7(10)5-2-1-3-6(4-5)8(11)12/h1-4H
InChIKey: WDCYWAQPCXBPJA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-]
ACDLabs 12.01O=[N+]([O-])c1cccc([N+]([O-])=O)c1
CACTVS 3.370[O-][N+](=O)c1cccc(c1)[N+]([O-])=O
Name:DINITROPHENYLENE
ChEMBL: CHEMBL114070
DrugBank: DB02680
ZINC: ZINC000001683353
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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