BioLiP

PDB

BioLiP

PDB CCD ID:

RAK

Number of entries in BioLiP:

Chemical formula:

C9 H10 F4 N2 O2 S2

InChI:

InChI=1S/C9H10F4N2O2S2/c1-15-19(16,17)9-6(12)4(10)8(18-3-2-14)5(11)7(9)13/h15H,2-3,14H2,1H3

InChIKey:

ZDIWWYOQIMEWPE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN[S](=O)(=O)c1c(F)c(F)c(SCCN)c(F)c1F
OpenEye OEToolkits 2.0.7	CNS(=O)(=O)c1c(c(c(c(c1F)F)SCCN)F)F

Name:

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