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BioLiP

PDB CCD ID: P6H
Number of entries in BioLiP: 1
Chemical formula: C8 H10 O3 S
InChI: InChI=1S/C8H10O3S/c1-12(10,11)8-5-3-2-4-7(8)6-9/h2-5,9H,6H2,1H3
InChIKey: RKXFAGRISWUJGO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CS(=O)(=O)c1ccccc1CO
CACTVS 3.385C[S](=O)(=O)c1ccccc1CO
Name:(2-methylsulfonylphenyl)methanol
ZINC: ZINC000090728171
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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