BioLiP

PDB

BioLiP

PDB CCD ID:

N3R

Number of entries in BioLiP:

Chemical formula:

C19 H17 F N2 O4

InChI:

InChI=1S/C19H17FN2O4/c1-25-15-7-2-3-8-16(15)26-10-9-21-19(24)12-11-17(23)22-14-6-4-5-13(20)18(12)14/h2-8,11H,9-10H2,1H3,(H,21,24)(H,22,23)

InChIKey:

HLMOMNRZAYBAJZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2c(ccc3)F
CACTVS 3.385	COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cccc(F)c23
ACDLabs 12.01	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cccc(F)c21

Name:

5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-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).