BioLiP

PDB

BioLiP

PDB CCD ID:

9QK

Number of entries in BioLiP:

Chemical formula:

C16 H10 F N O2

InChI:

InChI=1S/C16H10FNO2/c17-11-5-3-4-10(8-11)15-9-13(16(19)20)12-6-1-2-7-14(12)18-15/h1-9H,(H,19,20)

InChIKey:

PCKQJQMHOYYDMQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)c(cc(n2)c3cccc(c3)F)C(=O)O
CACTVS 3.385	OC(=O)c1cc(nc2ccccc12)c3cccc(F)c3

Name:

2-(3-fluorophenyl)quinoline-4-carboxylic acid

ZINC:

ZINC000019803135

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).