BioLiP

PDB

BioLiP

PDB CCD ID:

X65

Number of entries in BioLiP:

Chemical formula:

C14 H14 N4 O5 S

InChI:

InChI=1S/C14H14N4O5S/c15-14(19)12-7-10(18(20)21)3-6-13(12)17-8-9-1-4-11(5-2-9)24(16,22)23/h1-7,17H,8H2,(H2,15,19)(H2,16,22,23)

InChIKey:

CWGIVRBYIAXEMP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.370	NC(=O)c1cc(ccc1NCc2ccc(cc2)[S](N)(=O)=O)[N+]([O-])=O
OpenEye OEToolkits 1.7.0	c1cc(ccc1CNc2ccc(cc2C(=O)N)[N+](=O)[O-])S(=O)(=O)N
ACDLabs 12.01	O=S(=O)(N)c1ccc(cc1)CNc2ccc([N+]([O-])=O)cc2C(=O)N

Name:

5-nitro-2-[(4-sulfamoylbenzyl)amino]benzamide

ZINC:

ZINC000095920767

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).