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BioLiP

PDB CCD ID: TOS
Number of entries in BioLiP: 0
Chemical formula: C7 H8 O2 S
InChI: InChI=1S/C7H8O2S/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3,(H,8,9)
InChIKey: FXJVNINSOKCNJP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccc(cc1)[S](O)=O
OpenEye OEToolkits 1.7.5Cc1ccc(cc1)S(=O)O
OpenEye OEToolkits 1.7.5Cc1ccc(cc1)[S@@](=O)O
ACDLabs 10.04O=S(O)c1ccc(cc1)C
Name:P-SULFINOTOLUENE
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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