BioLiP

PDB

BioLiP

PDB CCD ID:

Q2U

Number of entries in BioLiP:

Chemical formula:

C19 H18 N2 O4

InChI:

InChI=1S/C19H18N2O4/c1-24-16-8-4-5-9-17(16)25-11-10-20-19(23)14-12-18(22)21-15-7-3-2-6-13(14)15/h2-9,12H,10-11H2,1H3,(H,20,23)(H,21,22)

InChIKey:

IOKPKVSTRDCKNE-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3ccccc23
OpenEye OEToolkits 2.0.7	COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2cccc3
ACDLabs 12.01	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2ccccc21

Name:

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

ChEMBL:

CHEMBL1417410

ZINC:

ZINC000013598153

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).