BioLiP

PDB

BioLiP

PDB CCD ID:

A1BVE

Number of entries in BioLiP:

Chemical formula:

C16 H15 F N2 O4 S

InChI:

InChI=1S/C16H15FN2O4S/c17-12-7-5-11(6-8-12)15(20)13-3-1-2-4-14(13)16(21)19-9-10-24(18,22)23/h1-8H,9-10H2,(H,19,21)(H2,18,22,23)

InChIKey:

WOEARHKOURQYMY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 14.52	O=C(c1ccc(F)cc1)c1ccccc1C(=O)NCCS(N)(=O)=O
OpenEye OEToolkits 3.1.0.0	c1ccc(c(c1)C(=O)c2ccc(cc2)F)C(=O)NCCS(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)CCNC(=O)c1ccccc1C(=O)c2ccc(F)cc2

Name:

2-(4-fluorobenzoyl)-N-(2-sulfamoylethyl)benzamide

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).