SEQ2FUN

BioLiP

PDB CCD ID: D8S
Number of entries in BioLiP: 1
Chemical formula: C13 H8 O2 S
InChI: InChI=1S/C13H8O2S/c14-13(15)11-7-9-6-5-8-3-1-2-4-10(8)12(9)16-11/h1-7H,(H,14,15)
InChIKey: KRSFUJUZIQCOHU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc2c(c1)ccc3c2sc(c3)C(=O)O
CACTVS 3.385OC(=O)c1sc2c(ccc3ccccc23)c1
Name:benzo[g][1]benzothiole-2-carboxylic acid
ZINC: ZINC000000068795
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).