BioLiP

PDB

BioLiP

PDB CCD ID:

FBV

Number of entries in BioLiP:

Chemical formula:

C6 H6 F N O2 S

InChI:

InChI=1S/C6H6FNO2S/c7-5-3-1-2-4-6(5)11(8,9)10/h1-4H,(H2,8,9,10)

InChIKey:

WFLBWYLZCQOPCA-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=S(=O)(c1ccccc1F)N
OpenEye OEToolkits 1.6.1	c1ccc(c(c1)F)S(=O)(=O)N
CACTVS 3.352	N[S](=O)(=O)c1ccccc1F

Name:

2-fluorobenzenesulfonamide

ZINC:

ZINC000000155614

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).