BioLiP

PDB

BioLiP

PDB CCD ID:

LGO

Number of entries in BioLiP:

Chemical formula:

C22 H20 N6 O5 S2

InChI:

InChI=1S/C22H20N6O5S2/c23-34(30,31)18-10-6-16(7-11-18)26-22(29)27-20-14-25-28(21(20)15-4-2-1-3-5-15)17-8-12-19(13-9-17)35(24,32)33/h1-14H,(H2,23,30,31)(H2,24,32,33)(H2,26,27,29)

InChIKey:

ZOOBJKVJHXVCFM-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1ccc(NC(=O)Nc2cnn(c3ccc(cc3)[S](N)(=O)=O)c2c4ccccc4)cc1
OpenEye OEToolkits 2.0.7	c1ccc(cc1)c2c(cnn2c3ccc(cc3)S(=O)(=O)N)NC(=O)Nc4ccc(cc4)S(=O)(=O)N
ACDLabs 12.01	NS(=O)(=O)c1ccc(cc1)NC(=O)Nc1cnn(c2ccc(cc2)S(N)(=O)=O)c1c1ccccc1

Name:

4-{5-phenyl-4-[(4-sulfamoylphenyl)carbamamido]-1H-pyrazol-1-yl}benzene-1-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).