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BioLiP

PDB CCD ID: OD5
Number of entries in BioLiP: 8
Chemical formula: C12 H10 O6 S
InChI: InChI=1S/C12H10O6S/c13-9-3-1-7(5-11(9)15)19(17,18)8-2-4-10(14)12(16)6-8/h1-6,13-16H
InChIKey: ASVQOVSTAOQGAT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc(c(cc1S(=O)(=O)c2ccc(c(c2)O)O)O)O
CACTVS 3.385Oc1ccc(cc1O)[S](=O)(=O)c2ccc(O)c(O)c2
ACDLabs 12.01Oc1ccc(cc1O)S(=O)(=O)c1cc(O)c(O)cc1
Name:4,4'-sulfonyldi(benzene-1,2-diol)
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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