BioLiP

PDB

BioLiP

PDB CCD ID:

L1F

Number of entries in BioLiP:

Chemical formula:

C20 H20 N2 O4

InChI:

InChI=1S/C20H20N2O4/c1-22(11-12-26-18-10-6-5-9-17(18)25-2)20(24)15-13-19(23)21-16-8-4-3-7-14(15)16/h3-10,13H,11-12H2,1-2H3,(H,21,23)

InChIKey:

BIHUQYISOBUTJB-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	COc1ccccc1OCCN(C)C(=O)C1=CC(=O)Nc2ccccc21
CACTVS 3.385	COc1ccccc1OCCN(C)C(=O)C2=CC(=O)Nc3ccccc23
OpenEye OEToolkits 2.0.7	CN(CCOc1ccccc1OC)C(=O)C2=CC(=O)Nc3c2cccc3

Name:

N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide

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).