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BioLiP

PDB CCD ID: V7U
Number of entries in BioLiP: 0
Chemical formula: C6 H5 N3 O4
InChI: InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2
InChIKey: LXQOQPGNCGEELI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1[N+](=O)[O-])[N+](=O)[O-])N
CACTVS 3.385Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O
Name:2,4-dinitroaniline
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).
  • 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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