SEQ2FUN

BioLiP

PDB CCD ID: 83U
Number of entries in BioLiP: 4
Chemical formula: C12 H8 O S
InChI: InChI=1S/C12H8OS/c13-14-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
InChIKey: NGDPCAMPVQYGCW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385O=[S]1c2ccccc2c3ccccc13
OpenEye OEToolkits 2.0.6c1ccc2c(c1)-c3ccccc3S2=O
Name:dibenzothiophene 5-oxide
ChEMBL: CHEMBL335280
ZINC: ZINC000001688627
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).