SEQ2FUN

BioLiP

PDB CCD ID: KX3
Number of entries in BioLiP: 0
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:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1CN)nccn2
CACTVS 3.385NCc1ccc2nccnc2c1
ACDLabs 12.01NCc1cc2nccnc2cc1
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).