BioLiP

PDB

BioLiP

PDB CCD ID:

V1Q

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O2 S

InChI:

InChI=1S/C11H13N3O2S/c1-9-3-5-10(6-4-9)17(15,16)13-11-7-8-14(2)12-11/h3-8H,1-2H3,(H,12,13)

InChIKey:

TWGSHKAINVZRCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cn1ccc(N[S](=O)(=O)c2ccc(C)cc2)n1
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)S(=O)(=O)Nc2ccn(n2)C

Name:

4-methyl-~{N}-(1-methylpyrazol-3-yl)benzenesulfonamide

ZINC:

ZINC000002780956

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).