BioLiP

PDB

BioLiP

PDB CCD ID:

XH3

Number of entries in BioLiP:

Chemical formula:

C15 H11 N3 O3

InChI:

InChI=1S/C15H11N3O3/c19-10-5-3-4-9(8-10)16-14-13(15(20)21)17-11-6-1-2-7-12(11)18-14/h1-8,19H,(H,16,18)(H,20,21)

InChIKey:

BGYMHNWAGXBGBJ-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	OC(=O)c1nc2ccccc2nc1Nc3cccc(O)c3
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)nc(c(n2)Nc3cccc(c3)O)C(=O)O

Name:

3-[(3-hydroxyphenyl)amino]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).