SEQ2FUN

BioLiP

PDB CCD ID: 1WD
Number of entries in BioLiP: 5
Chemical formula: C6 H5 N O2 S
InChI: InChI=1S/C6H5NO2S/c8-6(9)5-4(10)2-1-3-7-5/h1-3,10H,(H,8,9)
InChIKey: ZYFDNIOIEFZULT-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(c(nc1)C(=O)O)S
CACTVS 3.385OC(=O)c1ncccc1S
ACDLabs 12.01O=C(O)c1ncccc1S
Name:3-sulfanylpyridine-2-carboxylic acid
ChEMBL: CHEMBL3247165
ZINC: ZINC000002379148
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).