BioLiP

PDB

BioLiP

PDB CCD ID:

K2S

Number of entries in BioLiP:

Chemical formula:

C7 H13 N3 O2 S

InChI:

InChI=1S/C7H13N3O2S/c1-5-7(6(2)9-8-5)13(11,12)10(3)4/h1-4H3,(H,8,9)

InChIKey:

YJCZGTAEFYFJRJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	n1nc(C)c(c1C)S(N(C)C)(=O)=O
OpenEye OEToolkits 2.0.6	Cc1c(c(n[nH]1)C)S(=O)(=O)N(C)C
CACTVS 3.385	CN(C)[S](=O)(=O)c1c(C)[nH]nc1C

Name:

N,N,3,5-tetramethyl-1H-pyrazole-4-sulfonamide

ZINC:

ZINC000004206992

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).