SEQ2FUN

BioLiP

PDB CCD ID: KQR
Number of entries in BioLiP: 1
Chemical formula: C11 H8 O2 S
InChI: InChI=1S/C11H8O2S/c12-11(13)9-5-3-8(4-6-9)10-2-1-7-14-10/h1-7H,(H,12,13)
InChIKey: CVDUBQJEQNRCIZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01O=C(O)c1ccc(cc1)c1cccs1
CACTVS 3.385OC(=O)c1ccc(cc1)c2sccc2
OpenEye OEToolkits 2.0.7c1cc(sc1)c2ccc(cc2)C(=O)O
Name:4-(thiophen-2-yl)benzoic acid
ChEMBL: CHEMBL1922555
ZINC: ZINC000000158700
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).