BioLiP

PDB

BioLiP

PDB CCD ID:

53G

Number of entries in BioLiP:

Chemical formula:

C11 H11 N3 O

InChI:

InChI=1S/C11H11N3O/c1-14(2)11(15)8-3-4-9-10(7-8)13-6-5-12-9/h3-7H,1-2H3

InChIKey:

HQOVESVNZPVFDO-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	CN(C)C(=O)c1ccc2nccnc2c1
OpenEye OEToolkits 1.9.2	CN(C)C(=O)c1ccc2c(c1)nccn2
ACDLabs 12.01	n1ccnc2ccc(cc12)C(=O)N(C)C

Name:

N,N-dimethylquinoxaline-6-carboxamide

ZINC:

ZINC000013466583

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).