BioLiP

PDB

BioLiP

PDB CCD ID:

VGZ

Number of entries in BioLiP:

Chemical formula:

C16 H16 N2 O3

InChI:

InChI=1S/C16H16N2O3/c1-11(19)17-13-9-7-12(8-10-13)16(20)18-14-5-3-4-6-15(14)21-2/h3-10H,1-2H3,(H,17,19)(H,18,20)

InChIKey:

JJUACWJXQYGXEQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccccc1NC(=O)c2ccc(NC(C)=O)cc2
OpenEye OEToolkits 2.0.7	CC(=O)Nc1ccc(cc1)C(=O)Nc2ccccc2OC

Name:

4-acetamido-~{N}-(2-methoxyphenyl)benzamide

ZINC:

ZINC000000030069

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).