BioLiP

PDB

BioLiP

PDB CCD ID:

KX3

Number of entries in BioLiP:

Chemical formula:

C9 H9 N3

InChI:

InChI=1S/C9H9N3/c10-6-7-1-2-8-9(5-7)12-4-3-11-8/h1-5H,6,10H2

InChIKey:

LNYPHLYYOBNSPF-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1cc2c(cc1CN)nccn2
CACTVS 3.385	NCc1ccc2nccnc2c1
ACDLabs 12.01	NCc1cc2nccnc2cc1

Name:

1-(quinoxalin-6-yl)methanamine

ZINC:

ZINC000014628730

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).