BioLiP

PDB

BioLiP

PDB CCD ID:

B05

Number of entries in BioLiP:

Chemical formula:

C20 H16 N2 O4

InChI:

InChI=1S/C20H16N2O4/c23-20(16-9-6-10-17(13-16)22(24)25)21-18-11-4-5-12-19(18)26-14-15-7-2-1-3-8-15/h1-13H,14H2,(H,21,23)

InChIKey:

LWRSEQLBQHKFTL-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	[O-][N+](=O)c1cccc(c1)C(=O)Nc2ccccc2OCc3ccccc3
ACDLabs 12.01	O=[N+]([O-])c3cc(C(=O)Nc1c(cccc1)OCc2ccccc2)ccc3
OpenEye OEToolkits 1.9.2	c1ccc(cc1)COc2ccccc2NC(=O)c3cccc(c3)[N+](=O)[O-]

Name:

N-[2-(benzyloxy)phenyl]-3-nitrobenzamide

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).