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BioLiP Library

PDB CCD ID: BQB
Number of entries in BioLiP: 2
Chemical formula: C13 H8 I N3 O5
InChI: InChI=1S/C13H8IN3O5/c14-11-6-8(5-10(12(11)18)13(19)20)16-15-7-1-3-9(4-2-7)17(21)22/h1-6,18H,(H,19,20)/b16-15+
InChIKey: GBJFASRAKIVVBQ-FOCLMDBBSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(ccc1N=Nc2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-]
OpenEye OEToolkits 2.0.6c1cc(ccc1/N=N/c2cc(c(c(c2)I)O)C(=O)O)[N+](=O)[O-]
CACTVS 3.385OC(=O)c1cc(cc(I)c1O)N=Nc2ccc(cc2)[N+]([O-])=O
Name:5-(4-nitrophenylazo)-3-iodosalicylic 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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