SEQ2FUN

BioLiP

PDB CCD ID: JMG
Number of entries in BioLiP: 4
Chemical formula: C11 H8 O2 S
InChI: InChI=1S/C11H8O2S/c12-11(13)10-7-6-9(14-10)8-4-2-1-3-5-8/h1-7H,(H,12,13)
InChIKey: QGMFBCDNJUZQBZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccc(cc1)c2ccc(s2)C(=O)O
ACDLabs 12.01c2c(c1ccc(C(O)=O)s1)cccc2
CACTVS 3.385OC(=O)c1sc(cc1)c2ccccc2
Name:5-phenylthiophene-2-carboxylic acid
ChEMBL: CHEMBL3951007
ZINC: ZINC000000158686
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).