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BioLiP

PDB CCD ID: VBV
Number of entries in BioLiP: 2
Chemical formula: C12 H10 O6 S2
InChI: InChI=1S/C12H10O6S2/c13-19(14,15)11-5-1-9(2-6-11)10-3-7-12(8-4-10)20(16,17)18/h1-8H,(H,13,14,15)(H,16,17,18)
InChIKey: ABSXMLODUTXQDJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O[S](=O)(=O)c1ccc(cc1)c2ccc(cc2)[S](O)(=O)=O
ACDLabs 12.01O=S(c2ccc(c1ccc(cc1)S(O)(=O)=O)cc2)(=O)O
OpenEye OEToolkits 2.0.7c1cc(ccc1c2ccc(cc2)S(=O)(=O)O)S(=O)(=O)O
Name:[1,1'-biphenyl]-4,4'-disulfonic acid
ZINC: ZINC000001866983
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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