SEQ2FUN

BioLiP

PDB CCD ID: 83R
Number of entries in BioLiP: 3
Chemical formula: C12 H8 S
InChI: InChI=1S/C12H8S/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
InChIKey: IYYZUPMFVPLQIF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc2c(c1)c3ccccc3s2
CACTVS 3.385s1c2ccccc2c3ccccc13
Name:dibenzothiophene
ChEMBL: CHEMBL219828
ZINC: ZINC000001482032
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).