SEQ2FUN

BioLiP

PDB CCD ID: JB5
Number of entries in BioLiP: 2
Chemical formula: C8 H7 N3
InChI: InChI=1S/C8H7N3/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-5H,9H2
InChIKey: MSGRFBKVMUKEGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1N)nccn2
CACTVS 3.385Nc1ccc2nccnc2c1
Name:quinoxalin-6-amine
ChEMBL: CHEMBL3353658
ZINC: ZINC000000158699
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).