SEQ2FUN

BioLiP

PDB CCD ID: EJD
Number of entries in BioLiP: 2
Chemical formula: C11 H8 O2 S
InChI: InChI=1S/C11H8O2S/c12-11(13)9-3-1-8(2-4-9)10-5-6-14-7-10/h1-7H,(H,12,13)
InChIKey: FISAUHGRILVMDP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(cc1)c2cscc2
OpenEye OEToolkits 2.0.6c1cc(ccc1c2ccsc2)C(=O)O
ACDLabs 12.01c1(ccsc1)c2ccc(C(O)=O)cc2
Name:4-(thiophen-3-yl)benzoic acid
ChEMBL: CHEMBL3593494
ZINC: ZINC000000162003
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).