SEQ2FUN

BioLiP

PDB CCD ID: 16R
Number of entries in BioLiP: 2
Chemical formula: C7 H8 S
InChI: InChI=1S/C7H8S/c1-8-7-5-3-2-4-6-7/h2-6H,1H3
InChIKey: HNKJADCVZUBCPG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 1.7.6		CSc1ccccc1
Name:(methylsulfanyl)benzene;
methyl phenyl sulfide
ChEMBL: CHEMBL192899
ZINC: ZINC000001688763
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).