BioLiP

PDB

BioLiP

PDB CCD ID:

G1N

Number of entries in BioLiP:

Chemical formula:

C9 H7 N3 O4 S2

InChI:

InChI=1S/C9H7N3O4S2/c13-9(14)7-8(17-5-11-7)12-18(15,16)6-2-1-3-10-4-6/h1-5,12H,(H,13,14)

InChIKey:

OLGRJQGVXXCIMN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cnc1)S(=O)(=O)Nc2c(ncs2)C(=O)O
CACTVS 3.385	OC(=O)c1ncsc1N[S](=O)(=O)c2cccnc2

Name:

5-(pyridin-3-ylsulfonylamino)-1,3-thiazole-4-carboxylic acid

ChEMBL:

CHEMBL4536585

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).