BioLiP

PDB

BioLiP

PDB CCD ID:

U3M

Number of entries in BioLiP:

Chemical formula:

C25 H16 N2 O2

InChI:

InChI=1S/C25H16N2O2/c28-25(29)22-13-20(17-7-8-23-19(11-17)4-2-9-26-23)12-21(14-22)18-6-5-16-3-1-10-27-24(16)15-18/h1-15H,(H,28,29)

InChIKey:

OROXLWZECIFWHN-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc2ccc(cc2nc1)c3cc(cc(c3)C(=O)O)c4ccc5c(c4)cccn5
CACTVS 3.385	OC(=O)c1cc(cc(c1)c2ccc3cccnc3c2)c4ccc5ncccc5c4

Name:

3-quinolin-6-yl-5-quinolin-7-yl-benzoic 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).