BioLiP

PDB

BioLiP

PDB CCD ID:

KXC

Number of entries in BioLiP:

Chemical formula:

C13 H18 N4

InChI:

InChI=1S/C13H18N4/c1-17(2)8-7-14-10-11-3-4-12-13(9-11)16-6-5-15-12/h3-6,9,14H,7-8,10H2,1-2H3

InChIKey:

OZUJBFNDMZPDCX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)CCNCc1ccc2nccnc2c1
ACDLabs 12.01	CN(C)CCNCc1cc2nccnc2cc1
OpenEye OEToolkits 2.0.7	CN(C)CCNCc1ccc2c(c1)nccn2

Name:

6-methylquinoxaline

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).