BioLiP

PDB

BioLiP

PDB CCD ID:

V13

Number of entries in BioLiP:

Chemical formula:

C8 H7 F4 N O5 S2

InChI:

InChI=1S/C8H7F4NO5S2/c9-3-5(11)8(20(13,17)18)6(12)4(10)7(3)19(15,16)2-1-14/h14H,1-2H2,(H2,13,17,18)

InChIKey:

WZGGLNWNBUCLIP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	N[S](=O)(=O)c1c(F)c(F)c(c(F)c1F)[S](=O)(=O)CCO
ACDLabs 12.01	Fc1c(F)c(c(F)c(F)c1S(=O)(=O)N)S(=O)(=O)CCO
OpenEye OEToolkits 1.7.6	C(CS(=O)(=O)c1c(c(c(c(c1F)F)S(=O)(=O)N)F)F)O

Name:

2,3,5,6-tetrafluoro-4-[(2-hydroxyethyl)sulfonyl]benzenesulfonamide

ChEMBL:

CHEMBL2333417

ZINC:

ZINC000095586323

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).