BioLiP

PDB

BioLiP

PDB CCD ID:

E0J

Number of entries in BioLiP:

Chemical formula:

C14 H15 N O2

InChI:

InChI=1S/C14H15NO2/c1-11-9-13(16-2)6-7-14(11)17-10-12-5-3-4-8-15-12/h3-9H,10H2,1-2H3

InChIKey:

IJQMLIQZWDSRCW-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c1(ccc(c(C)c1)OCc2ccccn2)OC
CACTVS 3.385	COc1ccc(OCc2ccccn2)c(C)c1
OpenEye OEToolkits 2.0.6	Cc1cc(ccc1OCc2ccccn2)OC

Name:

2-[(4-methoxy-2-methylphenoxy)methyl]pyridine

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).