SEQ2FUN

BioLiP

PDB CCD ID: NUK
Number of entries in BioLiP: 3
Chemical formula: C7 H4 O2 S2
InChI: InChI=1S/C7H4O2S2/c8-7(9)6-3-5-4(11-6)1-2-10-5/h1-3H,(H,8,9)
InChIKey: GVZXSZWCZGKLRS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1csc2c1sc(c2)C(=O)O
CACTVS 3.385OC(=O)c1sc2ccsc2c1
Name:thieno[3,2-b]thiophene-5-carboxylic acid
ChEMBL: CHEMBL1173787
ZINC: ZINC000000107891
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).