SEQ2FUN

BioLiP

PDB CCD ID: KWU
Number of entries in BioLiP: 0
Chemical formula: C10 H11 N3
InChI: InChI=1S/C10H11N3/c1-11-7-8-2-3-9-10(6-8)13-5-4-12-9/h2-6,11H,7H2,1H3
InChIKey: QRZKMXOFPHWLCH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CNCc1ccc2nccnc2c1
ACDLabs 12.01CNCc1cc2nccnc2cc1
OpenEye OEToolkits 2.0.7CNCc1ccc2c(c1)nccn2
Name:N-methyl-1-(quinoxalin-6-yl)methanamine
ZINC: ZINC000014628728
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).