SEQ2FUN

BioLiP

PDB CCD ID: IJT
Number of entries in BioLiP: 4
Chemical formula: C20 H18 N4 O
InChI: InChI=1S/C20H18N4O/c1-14-20(23-17-11-7-6-10-16(17)21-14)25-13-19-22-18(12-24(19)2)15-8-4-3-5-9-15/h3-12H,13H2,1-2H3
InChIKey: QFGQHYLQNKASJG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 14.52Cn1cc(nc1COc1nc2ccccc2nc1C)c1ccccc1
OpenEye OEToolkits 3.1.0.0Cc1c(nc2ccccc2n1)OCc3nc(cn3C)c4ccccc4
CACTVS 3.385Cn1cc(nc1COc2nc3ccccc3nc2C)c4ccccc4
Name:2-methyl-3-[(1-methyl-4-phenyl-1H-imidazol-2-yl)methoxy]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).