BioLiP

PDB

BioLiP

PDB CCD ID:

F2B

Number of entries in BioLiP:

Chemical formula:

C14 H12 F2 N2 O3 S

InChI:

InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)

InChIKey:

QASSMVGOSBNFQY-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.341	N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(F)c2F
OpenEye OEToolkits 1.5.0	c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
ACDLabs 10.04	Fc1c(cccc1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N

Name:

N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE

DrugBank:

DB07742

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).