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BioLiP

PDB CCD ID: DNX
Number of entries in BioLiP: 6
Chemical formula: C6 H4 N2 O5
InChI: InChI=1S/C6H4N2O5/c9-4-1-2-5(7(10)11)6(3-4)8(12)13/h1-3,9H
InChIKey: AKLOLDQYWQAREW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(cc1O)[N+](=O)[O-])[N+](=O)[O-]
CACTVS 3.370Oc1ccc(c(c1)[N+]([O-])=O)[N+]([O-])=O
ACDLabs 12.01O=[N+]([O-])c1c(ccc(O)c1)[N+]([O-])=O
Name:3,4-dinitrophenol
ChEMBL: CHEMBL3347427
ZINC: ZINC000004521448
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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