BioLiP

PDB

BioLiP

PDB CCD ID:

HZ5

Number of entries in BioLiP:

Chemical formula:

C7 H13 N3 O2 S

InChI:

InChI=1S/C7H13N3O2S/c1-5-7(9-13(4,11)12)6(2)10(3)8-5/h9H,1-4H3

InChIKey:

PADGNQOKIIWYMD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1nc(C)c(N[S](C)(=O)=O)c1C
OpenEye OEToolkits 2.0.6	Cc1c(c(n(n1)C)C)NS(=O)(=O)C

Name:

~{N}-(1,3,5-trimethylpyrazol-4-yl)methanesulfonamide

ZINC:

ZINC000014225726

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).