BioLiP

PDB

BioLiP

PDB CCD ID:

PK4

Number of entries in BioLiP:

Chemical formula:

C8 H10 F N O2 S

InChI:

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

InChIKey:

PXJRMCHXJXWNJG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	Cc1cccc(c1F)S(=O)(=O)NC
ACDLabs 12.01	CNS(c1c(c(C)ccc1)F)(=O)=O
CACTVS 3.385	CN[S](=O)(=O)c1cccc(C)c1F

Name:

2-fluoro-N,3-dimethylbenzene-1-sulfonamide

ZINC:

ZINC000273215815

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).