BioLiP

PDB

BioLiP

PDB CCD ID:

A1H9V

Number of entries in BioLiP:

Chemical formula:

C5 H9 N3 O2 S

InChI:

InChI=1S/C5H9N3O2S/c1-8(2)11(9,10)5-3-6-7-4-5/h3-4H,1-2H3,(H,6,7)

InChIKey:

HEIPZBCMZXCIPT-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)[S](=O)(=O)c1c[nH]nc1
OpenEye OEToolkits 2.0.7	CN(C)S(=O)(=O)c1c[nH]nc1

Name:

~{N},~{N}-dimethyl-1~{H}-pyrazole-4-sulfonamide;
N,N-dimethyl-1H-pyrazole-4-sulfonamide

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).