SEQ2FUN

BioLiP

PDB CCD ID: K9F
Number of entries in BioLiP: 4
Chemical formula: C20 H18 N4
InChI: InChI=1S/C20H18N4/c1-24-14-18(15-6-3-2-4-7-15)23-19(24)11-10-16-8-5-9-17-20(16)22-13-12-21-17/h2-9,12-14H,10-11H2,1H3
InChIKey: LGRCDJCDDQBUGZ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(nc1CCc2cccc3nccnc23)c4ccccc4
OpenEye OEToolkits 2.0.7Cn1cc(nc1CCc2cccc3c2nccn3)c4ccccc4
ACDLabs 12.01Cn1cc(nc1CCc1cccc2nccnc12)c1ccccc1
Name:5-[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).