BioLiP

PDB

BioLiP

PDB CCD ID:

M2U

Number of entries in BioLiP:

Chemical formula:

C11 H13 N3 O2 S

InChI:

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

InChIKey:

GGFXNMABROEKLJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(cnn1c2ccccc2)S(=O)(=O)NC
CACTVS 3.385	CN[S](=O)(=O)c1cnn(c1C)c2ccccc2

Name:

~{N},5-dimethyl-1-phenyl-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).