BioLiP

PDB

BioLiP

PDB CCD ID:

R8N

Number of entries in BioLiP:

Chemical formula:

C9 H9 F4 N O3 S2

InChI:

InChI=1S/C9H9F4NO3S2/c1-14-19(16,17)9-6(12)4(10)8(18-3-2-15)5(11)7(9)13/h14-15H,2-3H2,1H3

InChIKey:

IMCLJEGGCMDONQ-UHFFFAOYSA-N

SMILES:

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

Name:

2,3,5,6-tetrakis(fluoranyl)-4-(2-hydroxyethylsulfanyl)-~{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).