BioLiP

PDB

BioLiP

PDB CCD ID:

GG8

Number of entries in BioLiP:

Chemical formula:

C9 H10 F3 N O2 S

InChI:

InChI=1S/C9H10F3NO2S/c10-9(11,12)6-7-13-16(14,15)8-4-2-1-3-5-8/h1-5,13H,6-7H2

InChIKey:

PCTNYPUVXBXHOS-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc(cc1)S(=O)(=O)NCCC(F)(F)F
CACTVS 3.385	FC(F)(F)CCN[S](=O)(=O)c1ccccc1

Name:

~{N}-[3,3,3-tris(fluoranyl)propyl]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).