BioLiP

PDB

BioLiP

PDB CCD ID:

KBB

Number of entries in BioLiP:

Chemical formula:

C6 H5 F2 N O2 S

InChI:

InChI=1S/C6H5F2NO2S/c7-4-1-2-5(8)6(3-4)12(9,10)11/h1-3H,(H2,9,10,11)

InChIKey:

OLMFEUWXDKZGOO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc(c(cc1F)S(=O)(=O)N)F
CACTVS 3.385	N[S](=O)(=O)c1cc(F)ccc1F

Name:

2,5-bis(fluoranyl)benzenesulfonamide

ZINC:

ZINC000002569635

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).