BioLiP

PDB

BioLiP

PDB CCD ID:

R8Q

Number of entries in BioLiP:

Chemical formula:

C10 H11 F4 N O2 S2

InChI:

InChI=1S/C10H11F4NO2S2/c1-3-4-18-9-5(11)7(13)10(8(14)6(9)12)19(16,17)15-2/h15H,3-4H2,1-2H3

InChIKey:

NTKHWXIITXMCEJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CCCSc1c(F)c(F)c(c(F)c1F)[S](=O)(=O)NC
OpenEye OEToolkits 2.0.7	CCCSc1c(c(c(c(c1F)F)S(=O)(=O)NC)F)F

Name:

2,3,5,6-tetrakis(fluoranyl)-~{N}-methyl-4-propylsulfanyl-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).