SEQ2FUN

BioLiP

PDB CCD ID: ND8
Number of entries in BioLiP: 3
Chemical formula: C9 H6 O2 S
InChI: InChI=1S/C9H6O2S/c10-9(11)8-5-6-3-1-2-4-7(6)12-8/h1-5H,(H,10,11)
InChIKey: DYSJMQABFPKAQM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc(s2)C(=O)O
CACTVS 3.385OC(=O)c1sc2ccccc2c1
Name:benzothiophene 2 carboxylic acid
ChEMBL: CHEMBL312607
ZINC: ZINC000000042511
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).