BioLiP

PDB

BioLiP

PDB CCD ID:

K7D

Number of entries in BioLiP:

Chemical formula:

C16 H11 N O3

InChI:

InChI=1S/C16H11NO3/c18-15-12-8-4-7-11(10-5-2-1-3-6-10)14(12)17-9-13(15)16(19)20/h1-9H,(H,17,18)(H,19,20)

InChIKey:

IYZQCKZKSCOMCY-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	c3c(c1cccc2c1NC=C(C(=O)O)C2=O)cccc3
CACTVS 3.385	OC(=O)C1=CNc2c(cccc2c3ccccc3)C1=O
OpenEye OEToolkits 2.0.6	c1ccc(cc1)c2cccc3c2NC=C(C3=O)C(=O)O

Name:

4-oxo-8-phenyl-1,4-dihydroquinoline-3-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).