SEQ2FUN

BioLiP

PDB CCD ID: IHV
Number of entries in BioLiP: 4
Chemical formula: C19 H22 N4
InChI: InChI=1S/C19H22N4/c1-13-14(2)21-17(15(3)20-13)10-11-19-22-18(12-23(19)4)16-8-6-5-7-9-16/h5-9,12H,10-11H2,1-4H3
InChIKey: WMQIXIQLZMRFSF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cn1cc(nc1CCc2nc(C)c(C)nc2C)c3ccccc3
OpenEye OEToolkits 3.1.0.0Cc1c(nc(c(n1)C)CCc2nc(cn2C)c3ccccc3)C
ACDLabs 14.52Cn1cc(nc1CCc1nc(C)c(C)nc1C)c1ccccc1
Name:2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]pyrazine
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).