SEQ2FUN

BioLiP

PDB CCD ID: IH0
Number of entries in BioLiP: 2
Chemical formula: C7 H8 O S
InChI: InChI=1S/C7H8OS/c1-9(8)7-5-3-2-4-6-7/h2-6H,1H3/t9-/m0/s1
InChIKey: JXTGICXCHWMCPM-VIFPVBQESA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.7		C[S@](=O)c1ccccc1
OpenEye OEToolkits 2.0.7CS(=O)c1ccccc1
CACTVS 3.385C[S](=O)c1ccccc1
Name:[(S)-methylsulfinyl]benzene;
(S)-methyl phenylsulfoxide
ZINC: ZINC000003787942
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).