BioLiP

PDB

BioLiP

PDB CCD ID:

6Q9

Number of entries in BioLiP:

Chemical formula:

C12 H13 N5 O2 S

InChI:

InChI=1S/C12H13N5O2S/c1-7-12(8(2)15-14-7)20(18,19)17-10-4-3-9-6-13-16-11(9)5-10/h3-6,17H,1-2H3,(H,13,16)(H,14,15)

InChIKey:

ZPEANOFCXGJMGS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1[nH]nc(C)c1[S](=O)(=O)Nc2ccc3c[nH]nc3c2
OpenEye OEToolkits 2.0.5	Cc1c(c(n[nH]1)C)S(=O)(=O)Nc2ccc3c[nH]nc3c2

Name:

~{N}-(2~{H}-indazol-6-yl)-3,5-dimethyl-1~{H}-pyrazole-4-sulfonamide

ChEMBL:

CHEMBL2098015

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).