BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2M

Number of entries in BioLiP:

Chemical formula:

C5 H6 N2 O2 S

InChI:

InChI=1S/C5H6N2O2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H,(H2,6,8,9)

InChIKey:

NKFLEFWUYAUDJV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1cccnc1
OpenEye OEToolkits 2.0.7	c1cc(cnc1)S(=O)(=O)N

Name:

pyridine-3-sulfonamide

ChEMBL:

CHEMBL2064700

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).