SEQ2FUN

BioLiP

PDB CCD ID: 9E9
Number of entries in BioLiP: 4
Chemical formula: C5 H3 Cl O2 S
InChI: InChI=1S/C5H3ClO2S/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKey: QZLSBOVWPHXCLT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1cc(sc1C(=O)O)Cl
CACTVS 3.385OC(=O)c1sc(Cl)cc1
Name:5-chloro thiophene-2-carboxylic acid;
5-chloranylthiophene-2-carboxylic acid
ChEMBL: CHEMBL4280438
ZINC: ZINC000000125451
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).