SEQ2FUN

BioLiP

PDB CCD ID: IFY
Number of entries in BioLiP: 4
Chemical formula: C21 H20 N4
InChI: InChI=1S/C21H20N4/c1-15-17(23-19-11-7-6-10-18(19)22-15)12-13-21-24-20(14-25(21)2)16-8-4-3-5-9-16/h3-11,14H,12-13H2,1-2H3
InChIKey: UAOCQIAPVSVHRD-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01Cn1cc(nc1CCc1nc2ccccc2nc1C)c1ccccc1
OpenEye OEToolkits 2.0.7Cc1c(nc2ccccc2n1)CCc3nc(cn3C)c4ccccc4
CACTVS 3.385Cn1cc(nc1CCc2nc3ccccc3nc2C)c4ccccc4
Name:2-methyl-3-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]quinoxaline
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).