BioLiP

PDB

BioLiP

PDB CCD ID:

KGK

Number of entries in BioLiP:

Chemical formula:

C7 H5 F4 N O2 S

InChI:

InChI=1S/C7H5F4NO2S/c1-2-3(8)5(10)7(15(12,13)14)6(11)4(2)9/h1H3,(H2,12,13,14)

InChIKey:

GJOFZGSCSWJRHH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F
CACTVS 3.385	Cc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O

Name:

2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzenesulfonamide

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).