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BioLiP

PDB CCD ID: DBX
Number of entries in BioLiP: 4
Chemical formula: C6 H6 O5 S
InChI: InChI=1S/C6H6O5S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3,7-8H,(H,9,10,11)
InChIKey: IKQCSJBQLWJEPU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 11.02O=S(=O)(O)c1cc(O)ccc1O
OpenEye OEToolkits 1.7.0c1cc(c(cc1O)S(=O)(=O)O)O
CACTVS 3.352Oc1ccc(O)c(c1)[S](O)(=O)=O
Name:2,5-dihydroxybenzenesulfonic acid
ChEMBL: CHEMBL1232131
DrugBank: DB13529
ZINC: ZINC000001663856
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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