SEQ2FUN

BioLiP

PDB CCD ID: 6V9
Number of entries in BioLiP: 5
Chemical formula: C5 H5 N O2 S
InChI: InChI=1S/C5H5NO2S/c1-3-6-2-4(9-3)5(7)8/h2H,1H3,(H,7,8)
InChIKey: QCXCIYPOMMIBHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.5Cc1ncc(s1)C(=O)O
CACTVS 3.385Cc1sc(cn1)C(O)=O
Name:2-methyl-1,3-thiazole-5-carboxylic acid
ChEMBL: CHEMBL247134
ZINC: ZINC000001688638
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).