SEQ2FUN

BioLiP

PDB CCD ID: 6EI
Number of entries in BioLiP: 3
Chemical formula: C7 H8 O4 S
InChI: InChI=1S/C7H8O4S/c1-6-2-4-7(5-3-6)11-12(8,9)10/h2-5H,1H3,(H,8,9,10)
InChIKey: WGNAKZGUSRVWRH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7Cc1ccc(cc1)OS(=O)(=O)O
CACTVS 3.385Cc1ccc(O[S](O)(=O)=O)cc1
Name:(4-methylphenyl) hydrogen sulfate;
p-Cresol sulfate
ChEMBL: CHEMBL4551850
ZINC: ZINC000008318019
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).