SEQ2FUN

BioLiP

PDB CCD ID: C21
Number of entries in BioLiP: 14
Chemical formula: C5 H4 O2 S
InChI: InChI=1S/C5H4O2S/c6-5(7)4-2-1-3-8-4/h1-3H,(H,6,7)
InChIKey: QERYCTSHXKAMIS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1cc(sc1)C(=O)O
CACTVS 3.341OC(=O)c1sccc1
ACDLabs 10.04O=C(O)c1sccc1
Name:THIOPHENE-2-CARBOXYLIC ACID
ChEMBL: CHEMBL1222314
ZINC: ZINC000000157468
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).