BioLiP

PDB

BioLiP

PDB CCD ID:

V3Q

Number of entries in BioLiP:

Chemical formula:

C16 H15 N O3

InChI:

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

InChIKey:

BUXCRYYBSCLNTF-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1cccc(CNC(=O)c2ccc(C=O)cc2)c1
OpenEye OEToolkits 2.0.7	COc1cccc(c1)CNC(=O)c2ccc(cc2)C=O

Name:

4-methanoyl-~{N}-[(3-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).