BioLiP

PDB

BioLiP

PDB CCD ID:

V6I

Number of entries in BioLiP:

Chemical formula:

C7 H8 F N O2 S

InChI:

InChI=1S/C7H8FNO2S/c1-12(10,11)9-7-5-3-2-4-6(7)8/h2-5,9H,1H3

InChIKey:

DJLCKPRURZWUOU-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	C[S](=O)(=O)Nc1ccccc1F
ACDLabs 12.01	O=S(C)(=O)Nc1ccccc1F
OpenEye OEToolkits 2.0.7	CS(=O)(=O)Nc1ccccc1F

Name:

N-(2-fluorophenyl)methanesulfonamide

ZINC:

ZINC000000029491

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).