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BioLiP

PDB CCD ID: EO8
Number of entries in BioLiP: 1
Chemical formula: C15 H9 N O7
InChI: InChI=1S/C15H9NO7/c17-13(9-3-1-2-4-10(9)14(18)19)8-5-6-11(15(20)21)12(7-8)16(22)23/h1-7H,(H,18,19)(H,20,21)
InChIKey: WDYTXQOHLZPDFS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(c(c1)C(=O)c2ccc(c(c2)[N+](=O)[O-])C(=O)O)C(=O)O
CACTVS 3.385OC(=O)c1ccccc1C(=O)c2ccc(C(O)=O)c(c2)[N+]([O-])=O
Name:4-(2-carboxyphenyl)carbonyl-2-nitro-benzoic acid
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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