BioLiP

PDB

BioLiP

PDB CCD ID:

SYJ

Number of entries in BioLiP:

Chemical formula:

C11 H10 F N O3 S

InChI:

InChI=1S/C11H10FNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2

InChIKey:

PUDNUBFHZZXPAS-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Fc1ccccc1[S](=O)(=O)NCc2occc2
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)F)S(=O)(=O)NCc2ccco2

Name:

2-fluoranyl-~{N}-(furan-2-ylmethyl)benzenesulfonamide

ZINC:

ZINC000000074622

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).