SEQ2FUN

BioLiP

PDB CCD ID: IZW
Number of entries in BioLiP: 4
Chemical formula: C21 H18 N2 O2
InChI: InChI=1S/C21H18N2O2/c1-15-18(23-21(25-15)17-7-3-2-4-8-17)12-14-24-19-11-5-9-16-10-6-13-22-20(16)19/h2-11,13H,12,14H2,1H3
InChIKey: JTAWSBLAJAKTEW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1oc(nc1CCOc2cccc3cccnc23)c4ccccc4
ACDLabs 12.01Cc1oc(nc1CCOc1cccc2cccnc21)c1ccccc1
OpenEye OEToolkits 2.0.7Cc1c(nc(o1)c2ccccc2)CCOc3cccc4c3nccc4
Name:8-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]quinoline
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).