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BioLiP

PDB CCD ID: TSU
Number of entries in BioLiP: 21
Chemical formula: C7 H8 O3 S
InChI: InChI=1S/C7H8O3S/c1-6-2-4-7(5-3-6)11(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey: JOXIMZWYDAKGHI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370Cc1ccc(cc1)[S](O)(=O)=O
ACDLabs 12.01O=S(=O)(O)c1ccc(cc1)C
OpenEye OEToolkits 1.7.0Cc1ccc(cc1)S(=O)(=O)O
Name:PARA-TOLUENE SULFONATE
ChEMBL: CHEMBL541253
DrugBank: DB03120
ZINC: ZINC000006427042
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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