SEQ2FUN

BioLiP

PDB CCD ID: JLG
Number of entries in BioLiP: 5
Chemical formula: C8 H5 N O2 S2
InChI: InChI=1S/C8H5NO2S2/c10-8(11)5-4-13-7(9-5)6-2-1-3-12-6/h1-4H,(H,10,11)
InChIKey: FGKCNTGJZXHKFJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c(c1scc(C(=O)O)n1)scc2
CACTVS 3.385OC(=O)c1csc(n1)c2sccc2
OpenEye OEToolkits 2.0.6c1cc(sc1)c2nc(cs2)C(=O)O
Name:2-(thiophen-2-yl)-1,3-thiazole-4-carboxylic acid
ChEMBL: CHEMBL1426654
ZINC: ZINC000000158692
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).