BioLiP

PDB

BioLiP

PDB CCD ID:

AVM

Number of entries in BioLiP:

Chemical formula:

C24 H18 N2 O3

InChI:

InChI=1S/C24H18N2O3/c1-15(27)26-22-6-2-4-17(13-22)19-10-20(12-21(11-19)24(28)29)18-8-7-16-5-3-9-25-23(16)14-18/h2-14H,1H3,(H,26,27)(H,28,29)

InChIKey:

HFHBEVQSZIRVAZ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CC(=O)Nc1cccc(c1)c2cc(cc(c2)c3ccc4cccnc4c3)C(O)=O
OpenEye OEToolkits 2.0.6	CC(=O)Nc1cccc(c1)c2cc(cc(c2)C(=O)O)c3ccc4cccnc4c3

Name:

3-(3-acetamidophenyl)-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).