SEQ2FUN

BioLiP

PDB CCD ID: ZJA
Number of entries in BioLiP: 1
Chemical formula: C12 H10 O2 S
InChI: InChI=1S/C12H10O2S/c1-8-4-2-3-5-9(8)10-6-7-11(15-10)12(13)14/h2-7H,1H3,(H,13,14)
InChIKey: BSOIGQKKGJNDJD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1ccccc1c2sc(cc2)C(O)=O
OpenEye OEToolkits 2.0.7Cc1ccccc1c2ccc(s2)C(=O)O
ACDLabs 12.01OC(=O)c1ccc(s1)c1ccccc1C
Name:5-(2-methylphenyl)thiophene-2-carboxylic acid
ChEMBL: CHEMBL1589861
ZINC: ZINC000013814819
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).