BioLiP

PDB

BioLiP

PDB CCD ID:

5TS

Number of entries in BioLiP:

Chemical formula:

C7 H5 N O4 S2

InChI:

InChI=1S/C7H5NO4S2/c9-14(10,11)7-2-1-6(13-7)5-3-4-8-12-5/h1-4H,(H,9,10,11)

InChIKey:

YJKUMLQWMFTFKD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	O[S](=O)(=O)c1sc(cc1)c2oncc2
OpenEye OEToolkits 1.7.2	c1cc(sc1c2ccno2)S(=O)(=O)O
ACDLabs 12.01	O=S(=O)(O)c2sc(c1oncc1)cc2

Name:

5-(1,2-oxazol-5-yl)thiophene-2-sulfonic acid

ZINC:

ZINC000098208527

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).