BioLiP

PDB

BioLiP

PDB CCD ID:

HQU

Number of entries in BioLiP:

Chemical formula:

C10 H7 N O3

InChI:

InChI=1S/C10H7NO3/c12-8-5-6-3-1-2-4-7(6)11-9(8)10(13)14/h1-5,12H,(H,13,14)

InChIKey:

WHKZBVQIMVUGIH-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)cc(c(n2)C(=O)O)O
CACTVS 3.341	OC(=O)c1nc2ccccc2cc1O
ACDLabs 10.04	O=C(O)c1nc2ccccc2cc1O

Name:

3-HYDROXYQUINALDIC ACID

ZINC:

ZINC000003647272

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).