SEQ2FUN

BioLiP

PDB CCD ID: TX0
Number of entries in BioLiP: 3
Chemical formula: C5 H4 O2 S
InChI: InChI=1S/C5H4O2S/c6-5(7)4-1-2-8-3-4/h1-3H,(H,6,7)
InChIKey: YNVOMSDITJMNET-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cscc1
ACDLabs 12.01O=C(O)c1ccsc1
OpenEye OEToolkits 2.0.7c1cscc1C(=O)O
Name:thiophene-3-carboxylic acid
ChEMBL: CHEMBL164585
ZINC: ZINC000000158755
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).