BioLiP

PDB

BioLiP

PDB CCD ID:

KQX

Number of entries in BioLiP:

Chemical formula:

C15 H16 N2 O

InChI:

InChI=1S/C15H16N2O/c1-11-3-5-13(6-4-11)9-15(18)17-14-10-16-8-7-12(14)2/h3-8,10H,9H2,1-2H3,(H,17,18)

InChIKey:

ADHDKMXDJWXBNY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=C(Nc1cnccc1C)Cc1ccc(C)cc1
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)CC(=O)Nc2cnccc2C
CACTVS 3.385	Cc1ccc(CC(=O)Nc2cnccc2C)cc1

Name:

2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide

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).