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BioLiP

PDB CCD ID: 6JD
Number of entries in BioLiP: 1
Chemical formula: C12 H10 O4 S
InChI: InChI=1S/C12H10O4S/c13-9-1-5-11(6-2-9)17(15,16)12-7-3-10(14)4-8-12/h1-8,13-14H
InChIKey: VPWNQTHUCYMVMZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Oc1ccc(cc1)[S](=O)(=O)c2ccc(O)cc2
OpenEye OEToolkits 2.0.5c1cc(ccc1O)S(=O)(=O)c2ccc(cc2)O
Name:4-(4-hydroxyphenyl)sulfonylphenol
ChEMBL: CHEMBL384441
ZINC: ZINC000000056964
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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