BioLiP

PDB

BioLiP

PDB CCD ID:

K5W

Number of entries in BioLiP:

Chemical formula:

C6 H5 F2 N O2 S

InChI:

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

InChIKey:

DWBWMAAYLWUXQK-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1cccc(F)c1F
OpenEye OEToolkits 2.0.7	c1cc(c(c(c1)S(=O)(=O)N)F)F

Name:

2,3-bis(fluoranyl)benzenesulfonamide

ZINC:

ZINC000040231115

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).