BioLiP

PDB

BioLiP

PDB CCD ID:

ZRE

Number of entries in BioLiP:

Chemical formula:

C10 H8 F N O3

InChI:

InChI=1S/C10H8FNO3/c11-7-4-8-5(1-2-9(13)12-8)3-6(7)10(14)15/h3-4H,1-2H2,(H,12,13)(H,14,15)

InChIKey:

SAJMBBKTNYDWGD-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1cc2CCC(=O)Nc2cc1F
ACDLabs 12.01	O=C(O)c1cc2CCC(=O)Nc2cc1F
OpenEye OEToolkits 2.0.7	c1c2c(cc(c1C(=O)O)F)NC(=O)CC2

Name:

7-fluoro-2-oxo-1,2,3,4-tetrahydroquinoline-6-carboxylic acid

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).