BioLiP

PDB

BioLiP

PDB CCD ID:

BQR

Number of entries in BioLiP:

Chemical formula:

C19 H20 N4 O3

InChI:

InChI=1S/C19H20N4O3/c1-20-19(24)11-22-18-10-21-14-6-4-12(8-15(14)23-18)13-5-7-16(25-2)17(9-13)26-3/h4-10H,11H2,1-3H3,(H,20,24)(H,22,23)

InChIKey:

LYPCULYCGFOIDA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 1.9.2	CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(c(c3)OC)OC
ACDLabs 12.01	N(c3nc2cc(c1cc(c(OC)cc1)OC)ccc2nc3)CC(=O)NC
CACTVS 3.385	CNC(=O)CNc1cnc2ccc(cc2n1)c3ccc(OC)c(OC)c3

Name:

N~2~-[7-(3,4-dimethoxyphenyl)quinoxalin-2-yl]-N-methylglycinamide

ChEMBL:

CHEMBL4129665

ZINC:

ZINC000263620725

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).