BioLiP

PDB

BioLiP

PDB CCD ID:

9Y4

Number of entries in BioLiP:

Chemical formula:

C16 H18 N2 O

InChI:

InChI=1S/C16H18N2O/c1-13-7-9-14(10-8-13)11-18-16(19)12-17-15-5-3-2-4-6-15/h2-10,17H,11-12H2,1H3,(H,18,19)

InChIKey:

VRFYXFGMPCGHJQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Cc1ccc(cc1)CNC(=O)CNc1ccccc1
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)CNC(=O)CNc2ccccc2
CACTVS 3.385	Cc1ccc(CNC(=O)CNc2ccccc2)cc1

Name:

N-[(4-methylphenyl)methyl]-N~2~-phenylglycinamide

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).