BioLiP

PDB

BioLiP

PDB CCD ID:

V2W

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O3

InChI:

InChI=1S/C16H15NO3/c1-20-15-8-4-12(5-9-15)10-17-16(19)14-6-2-13(11-18)3-7-14/h2-9,11H,10H2,1H3,(H,17,19)

InChIKey:

SCOZUTCGYBXUCE-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccc(cc1)CNC(=O)c2ccc(cc2)C=O
CACTVS 3.385	COc1ccc(CNC(=O)c2ccc(C=O)cc2)cc1

Name:

4-methanoyl-~{N}-[(4-methoxyphenyl)methyl]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).