BioLiP

PDB

BioLiP

PDB CCD ID:

Q92

Number of entries in BioLiP:

Chemical formula:

C16 H11 N O2

InChI:

InChI=1S/C16H11NO2/c18-16(19)14-4-1-3-11(10-14)12-6-7-15-13(9-12)5-2-8-17-15/h1-10H,(H,18,19)

InChIKey:

NVUDTXCAUAPCDL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1cc(cc(c1)C(=O)O)c2ccc3c(c2)cccn3
CACTVS 3.385	OC(=O)c1cccc(c1)c2ccc3ncccc3c2

Name:

3-quinolin-6-ylbenzoic acid

ChEMBL:

CHEMBL4166544

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).