BioLiP

PDB

BioLiP

PDB CCD ID:

Number of entries in BioLiP:

Chemical formula:

C9 H6 N2 O2

InChI:

InChI=1/C9H6N2O2/c12-9(13)8-5-10-6-3-1-2-4-7(6)11-8/h1-5H,(H,12,13)/f/h12H

InChIKey:

UPUZGXILYFKSGE-XWKXFZRBCK

SMILES:

Software	SMILES
OpenEye OEToolkits 1.5.0	c1ccc2c(c1)ncc(n2)C(=O)O
CACTVS 3.341	OC(=O)c1cnc2ccccc2n1
ACDLabs 10.04	O=C(O)c1nc2ccccc2nc1

Name:

QUINOXALINE-2-CARBOXYLIC 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).