SEQ2FUN

BioLiP

PDB CCD ID: JJF
Number of entries in BioLiP: 4
Chemical formula: C13 H15 N3
InChI: InChI=1S/C13H15N3/c1-10-13(16-8-4-5-9-16)15-12-7-3-2-6-11(12)14-10/h2-3,6-7H,4-5,8-9H2,1H3
InChIKey: IDVIVWNKKBNROO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1nc2ccccc2nc1N3CCCC3
ACDLabs 12.01Cc1nc2ccccc2nc1N1CCCC1
OpenEye OEToolkits 2.0.7Cc1c(nc2ccccc2n1)N3CCCC3
Name:2-methyl-3-(pyrrolidin-1-yl)quinoxaline
ChEMBL: CHEMBL1450919
ZINC: ZINC000000434844
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).