SEQ2FUN

BioLiP

PDB CCD ID: 60P
Number of entries in BioLiP: 8
Chemical formula: C6 H6 O2 S
InChI: InChI=1S/C6H6O2S/c1-4-2-3-9-5(4)6(7)8/h2-3H,1H3,(H,7,8)
InChIKey: IFLKEBSJTZGCJG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.4Cc1ccsc1C(=O)O
CACTVS 3.385Cc1ccsc1C(O)=O
Name:3-methylthiophene-2-carboxylic acid
ChEMBL: CHEMBL4285249
ZINC: ZINC000000152287
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).