BioLiP

PDB

BioLiP

PDB CCD ID:

FSB

Number of entries in BioLiP:

Chemical formula:

C14 H13 F N2 O3 S

InChI:

InChI=1S/C14H13FN2O3S/c15-13-4-2-1-3-11(13)9-17-14(18)10-5-7-12(8-6-10)21(16,19)20/h1-8H,9H2,(H,17,18)(H2,16,19,20)

InChIKey:

ULYMHSXFSKOHGH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.7.6	c1ccc(c(c1)CNC(=O)c2ccc(cc2)S(=O)(=O)N)F
ACDLabs 12.01	c1cc(ccc1C(=O)NCc2ccccc2F)S(N)(=O)=O
CACTVS 3.385	N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccccc2F

Name:

N-(2-FLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE

DrugBank:

DB02069

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).