BioLiP

PDB

BioLiP

PDB CCD ID:

JTY

Number of entries in BioLiP:

Chemical formula:

C10 H8 N2 O4 S2

InChI:

InChI=1S/C10H8N2O4S2/c13-10(14)8-9(17-6-11-8)12-18(15,16)7-4-2-1-3-5-7/h1-6,12H,(H,13,14)

InChIKey:

XOXXLROXAKZQOM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)S(=O)(=O)Nc2c(ncs2)C(=O)O
CACTVS 3.385	OC(=O)c1ncsc1N[S](=O)(=O)c2ccccc2

Name:

5-(phenylsulfonylamino)-1,3-thiazole-4-carboxylic acid

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).