BioLiP

PDB

BioLiP

PDB CCD ID:

ZUG

Number of entries in BioLiP:

Chemical formula:

C7 H10 N2 O2 S

InChI:

InChI=1S/C7H10N2O2S/c1-9(2)12(10,11)7-4-3-5-8-6-7/h3-6H,1-2H3

InChIKey:

HGZULNNLLFYOFI-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)[S](=O)(=O)c1cccnc1
ACDLabs 12.01	O=S(=O)(c1cccnc1)N(C)C
OpenEye OEToolkits 2.0.7	CN(C)S(=O)(=O)c1cccnc1

Name:

N,N-dimethylpyridine-3-sulfonamide

ZINC:

ZINC000004208850

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).