BioLiP

PDB

BioLiP

PDB CCD ID:

KW9

Number of entries in BioLiP:

Chemical formula:

C19 H17 F N2 O4

InChI:

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

InChIKey:

KKIJAAYVRSUCNW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3c2ccc(c3)F
CACTVS 3.385	COc1ccccc1OCCNC(=O)C2=CC(=O)Nc3cc(F)ccc23
ACDLabs 12.01	COc1ccccc1OCCNC(=O)C1=CC(=O)Nc2cc(F)ccc21

Name:

7-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).