BioLiP

PDB

BioLiP

PDB CCD ID:

A1I2G

Number of entries in BioLiP:

Chemical formula:

C8 H10 F N O2 S

InChI:

InChI=1S/C8H10FNO2S/c1-10(2)13(11,12)8-6-4-3-5-7(8)9/h3-6H,1-2H3

InChIKey:

BSZOPXBTMLYXSG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)S(=O)(=O)c1ccccc1F
CACTVS 3.385	CN(C)[S](=O)(=O)c1ccccc1F

Name:

2-fluoranyl-~{N},~{N}-dimethyl-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).