BioLiP

PDB

BioLiP

PDB CCD ID:

BRE

Number of entries in BioLiP:

Chemical formula:

C23 H16 F N O2

InChI:

InChI=1S/C23H16FNO2/c1-14-21(23(26)27)19-13-18(24)11-12-20(19)25-22(14)17-9-7-16(8-10-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,26,27)

InChIKey:

WYKKHJQZENLZID-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	Cc1c(c2cc(ccc2nc1c3ccc(cc3)c4ccccc4)F)C(=O)O
ACDLabs 10.04	Fc1ccc2nc(c(c(c2c1)C(=O)O)C)c4ccc(c3ccccc3)cc4
CACTVS 3.341	Cc1c(nc2ccc(F)cc2c1C(O)=O)c3ccc(cc3)c4ccccc4

Name:

2-BIPHENYL-4-YL-6-FLUORO-3-METHYL-QUINOLINE-4-CARBOXYLIC ACID;
BREQUINAR ANALOG

ChEMBL:

CHEMBL220467

DrugBank:

DB03480

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).