BioLiP

PDB

BioLiP

PDB CCD ID:

QND

Number of entries in BioLiP:

Chemical formula:

C10 H7 N O2

InChI:

InChI=1S/C10H7NO2/c12-10(13)9-6-5-7-3-1-2-4-8(7)11-9/h1-6H,(H,12,13)

InChIKey:

LOAUVZALPPNFOQ-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 10.04	O=C(O)c1nc2ccccc2cc1
CACTVS 3.341	OC(=O)c1ccc2ccccc2n1
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)ccc(n2)C(=O)O

Name:

QUINALDIC 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).