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BioLiP

PDB CCD ID: SML
Number of entries in BioLiP: 0
Chemical formula: C7 H8 O2 S
InChI: InChI=1S/C7H8O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKey: JCDWETOKTFWTHA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[S](=O)(=O)c1ccccc1
sulfone
OpenEye OEToolkits 1.5.0CS(=O)(=O)c1ccccc1
Name:PHENYL METHYL SULFONE
ChEMBL: CHEMBL116841
ZINC: ZINC000000165307
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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