BioLiP

PDB

BioLiP

PDB CCD ID:

KJ5

Number of entries in BioLiP:

Chemical formula:

C8 H7 F4 N O2 S

InChI:

InChI=1S/C8H7F4NO2S/c1-2-3-4(9)6(11)8(16(13,14)15)7(12)5(3)10/h2H2,1H3,(H2,13,14,15)

InChIKey:

HHQRZAKPYDZJGB-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CCc1c(c(c(c(c1F)F)S(=O)(=O)N)F)F
CACTVS 3.385	CCc1c(F)c(F)c(c(F)c1F)[S](N)(=O)=O

Name:

4-ethyl-2,3,5,6-tetrakis(fluoranyl)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).